4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid

C14H10N2O3 — CID 175214662

IUPAC4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1
InChIInChI=1S/C14H10N2O3/c1-8-2-3-12-10(6-8)16-13(19-12)9-4-5-15-11(7-9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyGPDBHTIPTWFAMM-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.90
Rot. Bonds2

About 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid

4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid (PubChem CID 175214662) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid
PubChem CID175214662
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1
InChIInChI=1S/C14H10N2O3/c1-8-2-3-12-10(6-8)16-13(19-12)9-4-5-15-11(7-9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyGPDBHTIPTWFAMM-UHFFFAOYSA-N
XLogP2.90
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
3,6-dimethyl-2-(5-methyl-1,3-benzoxazol-2-yl)benzoic acid
CID 103430680
4-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-benzoxazol-2-yl]pyridine-2-carboxylic acid
CID 156640427
5-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide
CID 102552415
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 50880177
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
CID 1359894
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid (CID 175214662) is 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid is Cc1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1.
What is the InChIKey of 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid?
The InChIKey is GPDBHTIPTWFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-2-3-12-10(6-8)16-13(19-12)9-4-5-15-11(7-9)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid?
4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 175214662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).