3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one

C15H13NO4 — CID 46946073

IUPAC3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
SMILESCOc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1
InChIInChI=1S/C15H13NO4/c1-19-12-5-6-14-13(8-12)16(15(18)20-14)9-10-3-2-4-11(17)7-10/h2-8,17H,9H2,1H3
InChIKeyJJYVEZRGSFAAOF-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.36
Rot. Bonds3

About 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one

3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one (PubChem CID 46946073) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
PubChem CID46946073
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
SMILESCOc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1
InChIInChI=1S/C15H13NO4/c1-19-12-5-6-14-13(8-12)16(15(18)20-14)9-10-3-2-4-11(17)7-10/h2-8,17H,9H2,1H3
InChIKeyJJYVEZRGSFAAOF-UHFFFAOYSA-N
XLogP2.36
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one 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

5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
2-amino-4-methylphenol;3-[(3-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one
CID 161026618
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
CID 131857932
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
3-[(3-aminophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 52941448
5-chloro-3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 90675980
3-[(2-bromo-5-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 65325780
5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide
CID 141483091
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130514

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one (CID 46946073) is 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one is COc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one?
The InChIKey is JJYVEZRGSFAAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-12-5-6-14-13(8-12)16(15(18)20-14)9-10-3-2-4-11(17)7-10/h2-8,17H,9H2,1H3.
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one?
3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one has a molecular weight of 271.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one is sourced from PubChem (CID 46946073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).