6-methoxy-3H-1,3-benzoxazol-2-one

C8H7NO3 — CID 10772

IUPAC6-methoxy-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKeyMKMCJLMBVKHUMS-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.13
Rot. Bonds1

About 6-methoxy-3H-1,3-benzoxazol-2-one

6-methoxy-3H-1,3-benzoxazol-2-one (PubChem CID 10772) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 6-methoxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-methoxy-3H-1,3-benzoxazol-2-one
PubChem CID10772
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name6-methoxy-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKeyMKMCJLMBVKHUMS-UHFFFAOYSA-N
XLogP1.13
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-3H-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

2(3H)-Benzoxazolone
CID 6043
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
Butanamide, N-(2,4-dimethoxyphenyl)-3-oxo-
CID 85564
5-Amino-2,3-dihydro-1,3-benzoxazol-2-one
CID 26856
2(3H)-Benzoxazolone, 6-hydroxy-
CID 157167
Acetamide, N-(2,4-dimethoxyphenyl)-
CID 89972
2-Hydroxy-6,7-dimethoxybenzoxazole
CID 10987158
4-((2,4-Dimethoxyphenyl)amino)-4-oxobut-2-enoic acid
CID 708945
5-Methoxybenzoxazolone
CID 38715
5-Fluoro-2(3H)-benzoxazolone
CID 287208
N-(2,4-dimethoxyphenyl)propanamide
CID 699704
N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 3140488

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-methoxy-3H-1,3-benzoxazol-2-one (CID 10772) is 6-methoxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-methoxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-methoxy-3H-1,3-benzoxazol-2-one is COc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-methoxy-3H-1,3-benzoxazol-2-one?
The InChIKey is MKMCJLMBVKHUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10).
What are the key properties of 6-methoxy-3H-1,3-benzoxazol-2-one?
6-methoxy-3H-1,3-benzoxazol-2-one has a molecular weight of 165.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 10772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).