1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone

C16H13NO3 — CID 155545064

IUPAC1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone
SMILESCC(=O)c1c(O)ccc2oc(-c3ccccc3C)nc12
InChIInChI=1S/C16H13NO3/c1-9-5-3-4-6-11(9)16-17-15-13(20-16)8-7-12(19)14(15)10(2)18/h3-8,19H,1-2H3
InChIKeyYHQVZQVBXGAPRS-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.71
Rot. Bonds2

About 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone

1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone (PubChem CID 155545064) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone
PubChem CID155545064
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone
SMILESCC(=O)c1c(O)ccc2oc(-c3ccccc3C)nc12
InChIInChI=1S/C16H13NO3/c1-9-5-3-4-6-11(9)16-17-15-13(20-16)8-7-12(19)14(15)10(2)18/h3-8,19H,1-2H3
InChIKeyYHQVZQVBXGAPRS-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone?
The IUPAC name of 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone (CID 155545064) is 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone is CC(=O)c1c(O)ccc2oc(-c3ccccc3C)nc12.
What is the InChIKey of 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone?
The InChIKey is YHQVZQVBXGAPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9-5-3-4-6-11(9)16-17-15-13(20-16)8-7-12(19)14(15)10(2)18/h3-8,19H,1-2H3.
What are the key properties of 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone?
1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone has a molecular weight of 267.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazol-4-yl]ethanone is sourced from PubChem (CID 155545064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).