4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol

C18H14N2O3 — CID 135883364

IUPAC4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccccc34)co2)ccc1O
InChIInChI=1S/C18H14N2O3/c1-22-17-8-11(6-7-16(17)21)18-20-15(10-23-18)13-9-19-14-5-3-2-4-12(13)14/h2-10,19,21H,1H3
InChIKeyUPEOZMDZRGORAO-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.20
Rot. Bonds3

About 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol

4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol (PubChem CID 135883364) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
PubChem CID135883364
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccccc34)co2)ccc1O
InChIInChI=1S/C18H14N2O3/c1-22-17-8-11(6-7-16(17)21)18-20-15(10-23-18)13-9-19-14-5-3-2-4-12(13)14/h2-10,19,21H,1H3
InChIKeyUPEOZMDZRGORAO-UHFFFAOYSA-N
XLogP4.20
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
CID 136854497
5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one
CID 170990560
1-(1H-indol-3-yl)-7-methoxynaphthalen-2-ol
CID 142739880
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 141298361
3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103113
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-[4-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-1H-imidazol-2-yl]-1H-indole-6-carboxylic acid
CID 154925480

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol (CID 135883364) is 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol is COc1cc(-c2nc(-c3c[nH]c4ccccc34)co2)ccc1O.
What is the InChIKey of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
The InChIKey is UPEOZMDZRGORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-22-17-8-11(6-7-16(17)21)18-20-15(10-23-18)13-9-19-14-5-3-2-4-12(13)14/h2-10,19,21H,1H3.
What are the key properties of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol has a molecular weight of 306.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 135883364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).