2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate

C10H8NO4- — CID 2145483

IUPAC2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCc1ccc2oc(=O)n(CC(=O)[O-])c2c1
InChIInChI=1S/C10H9NO4/c1-6-2-3-8-7(4-6)11(5-9(12)13)10(14)15-8/h2-4H,5H2,1H3,(H,12,13)/p-1
InChIKeyJJMSSIVSZNVZFE-UHFFFAOYSA-M
MW206.18 g/mol
LogP-0.35
Rot. Bonds2

About 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate

2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 2145483) has the molecular formula C10H8NO4- and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID2145483
Molecular FormulaC10H8NO4-
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCc1ccc2oc(=O)n(CC(=O)[O-])c2c1
InChIInChI=1S/C10H9NO4/c1-6-2-3-8-7(4-6)11(5-9(12)13)10(14)15-8/h2-4H,5H2,1H3,(H,12,13)/p-1
InChIKeyJJMSSIVSZNVZFE-UHFFFAOYSA-M
XLogP-0.35
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate 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

3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
5-nitro-3-(2-oxobutyl)-1,3-benzoxazol-2-one
CID 62040396
3-[(2,5-dihydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 54588508
3-(2-hydroxy-2-phenylethyl)-5-methyl-1,3-benzoxazol-2-one
CID 91356447
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 46963920
3-[2-[4-(dimethylamino)azepan-1-yl]-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one
CID 56911720
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
sodium 8-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 70523195
4-[2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzoic acid
CID 82097971
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55870259
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl chloride
CID 12547768
3-[(3-aminophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 52941448

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate (CID 2145483) is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate is Cc1ccc2oc(=O)n(CC(=O)[O-])c2c1.
What is the InChIKey of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is JJMSSIVSZNVZFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4/c1-6-2-3-8-7(4-6)11(5-9(12)13)10(14)15-8/h2-4H,5H2,1H3,(H,12,13)/p-1.
What are the key properties of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 206.18 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 2145483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).