1-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]propan-1-ol

Details

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Internal ID 176eda32-85f8-4572-8565-92372cf18b4d
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles
IUPAC Name 1-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILES (Canonical) CCC(C1=NC=C(O1)C2=CNC3=CC=CC=C32)O
SMILES (Isomeric) CCC(C1=NC=C(O1)C2=CNC3=CC=CC=C32)O
InChI InChI=1S/C14H14N2O2/c1-2-12(17)14-16-8-13(18-14)10-7-15-11-6-4-3-5-9(10)11/h3-8,12,15,17H,2H2,1H3
InChI Key IMZVEWFESRNTEX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H14N2O2
Molecular Weight 242.27 g/mol
Exact Mass 242.105527694 g/mol
Topological Polar Surface Area (TPSA) 62.00 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]propan-1-ol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 95.81% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.34% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.69% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.15% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.94% 89.00%
CHEMBL213 P08588 Beta-1 adrenergic receptor 89.25% 95.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 89.11% 93.65%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.87% 85.14%
CHEMBL2535 P11166 Glucose transporter 87.62% 98.75%
CHEMBL3310 Q96DB2 Histone deacetylase 11 87.16% 88.56%
CHEMBL3401 O75469 Pregnane X receptor 86.89% 94.73%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.84% 94.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.82% 95.56%
CHEMBL2885 P07451 Carbonic anhydrase III 82.28% 87.45%
CHEMBL3902 P09211 Glutathione S-transferase Pi 82.18% 93.81%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.71% 96.67%
CHEMBL1781 P11387 DNA topoisomerase I 81.49% 97.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.65% 93.99%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 72663847
LOTUS LTS0137115
wikiData Q104168934