6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one

C15H13NO4 — CID 129087851

IUPAC6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccccc1Cn1c(=O)oc2cc(O)ccc21
InChIInChI=1S/C15H13NO4/c1-19-13-5-3-2-4-10(13)9-16-12-7-6-11(17)8-14(12)20-15(16)18/h2-8,17H,9H2,1H3
InChIKeyKYYDJGWRTYOOKZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.36
Rot. Bonds3

About 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one

6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 129087851) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID129087851
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccccc1Cn1c(=O)oc2cc(O)ccc21
InChIInChI=1S/C15H13NO4/c1-19-13-5-3-2-4-10(13)9-16-12-7-6-11(17)8-14(12)20-15(16)18/h2-8,17H,9H2,1H3
InChIKeyKYYDJGWRTYOOKZ-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

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Related Compounds

4-methoxy-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzaldehyde
CID 62019739
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 46963246
4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-phenylpyridin-2-one
CID 54704862
2-[(6-acetyl-2-oxo-1,3-benzoxazol-3-yl)methyl]benzoic acid
CID 94723457
3-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-hydroxy-1,3-benzoxazol-2-one
CID 58834349
3-[(2-bromo-5-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 65325780
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1,3-benzoxazol-2-one
CID 64765748
3-[(2,5-dihydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 54588508
3-[(5-bromo-2-methoxyphenyl)methyl]-5-iodo-1,3-benzoxazol-2-one
CID 79783341
2-[[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]benzonitrile
CID 82357369
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (CID 129087851) is 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is COc1ccccc1Cn1c(=O)oc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is KYYDJGWRTYOOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-13-5-3-2-4-10(13)9-16-12-7-6-11(17)8-14(12)20-15(16)18/h2-8,17H,9H2,1H3.
What are the key properties of 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
6-hydroxy-3-[(2-methoxyphenyl)methyl]-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 6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 129087851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).