2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid

C15H11NO3 — CID 81357419

IUPAC2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
SMILESCc1ccccc1-c1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C15H11NO3/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15(17)18)8-13(12)19-14/h2-8H,1H3,(H,17,18)
InChIKeyFZJDWOCPYWDWAN-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.50
Rot. Bonds2

About 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid

2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 81357419) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
PubChem CID81357419
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
SMILESCc1ccccc1-c1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C15H11NO3/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15(17)18)8-13(12)19-14/h2-8H,1H3,(H,17,18)
InChIKeyFZJDWOCPYWDWAN-UHFFFAOYSA-N
XLogP3.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid 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-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
2-(3-amino-7-methyl-1-benzofuran-2-yl)-1,3-benzoxazole-6-carboxylic acid
CID 177195263
2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357611
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357317
2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358041
2-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]isoindole-1,3-dione
CID 168516646
3-iodo-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 17362639
2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 11694515
2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357412
2-(4-chloro-2-methoxyphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81340585
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid (CID 81357419) is 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid is Cc1ccccc1-c1nc2ccc(C(=O)O)cc2o1.
What is the InChIKey of 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is FZJDWOCPYWDWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15(17)18)8-13(12)19-14/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid?
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 81357419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).