3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid

C15H10ClNO4 — CID 82062900

IUPAC3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(=O)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C15H10ClNO4/c16-11-4-2-1-3-10(11)8-17-12-7-9(14(18)19)5-6-13(12)21-15(17)20/h1-7H,8H2,(H,18,19)
InChIKeyZJWMHFSUEBQWJT-UHFFFAOYSA-N
MW303.70 g/mol
LogP2.99
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid

3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid (PubChem CID 82062900) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
PubChem CID82062900
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(=O)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C15H10ClNO4/c16-11-4-2-1-3-10(11)8-17-12-7-9(14(18)19)5-6-13(12)21-15(17)20/h1-7H,8H2,(H,18,19)
InChIKeyZJWMHFSUEBQWJT-UHFFFAOYSA-N
XLogP2.99
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062902
2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid
CID 82062913
2-[(6-acetyl-2-oxo-1,3-benzoxazol-3-yl)methyl]benzoic acid
CID 94723457
1-[(2-chlorophenyl)methyl]-2-ethylindole-6-carboxylic acid
CID 150063466
3-[(4-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062852
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
2-acetyl-1-[(2-chlorophenyl)methyl]-3-methylindole-6-carboxylic acid
CID 22627306
3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18680874
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
ethyl 1-(3-benzyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 20955907

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid (CID 82062900) is 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(=O)n(Cc3ccccc3Cl)c2c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is ZJWMHFSUEBQWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c16-11-4-2-1-3-10(11)8-17-12-7-9(14(18)19)5-6-13(12)21-15(17)20/h1-7H,8H2,(H,18,19).
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid?
3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 303.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 82062900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).