2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid

C14H10N2O3 — CID 11694515

IUPAC2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
SMILESCc1ncccc1-c1nc2cc(C(=O)O)ccc2o1
InChIInChI=1S/C14H10N2O3/c1-8-10(3-2-6-15-8)13-16-11-7-9(14(17)18)4-5-12(11)19-13/h2-7H,1H3,(H,17,18)
InChIKeyYISXKTSMDFODFZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.90
Rot. Bonds2

About 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid

2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid (PubChem CID 11694515) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
PubChem CID11694515
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
SMILESCc1ncccc1-c1nc2cc(C(=O)O)ccc2o1
InChIInChI=1S/C14H10N2O3/c1-8-10(3-2-6-15-8)13-16-11-7-9(14(17)18)4-5-12(11)19-13/h2-7H,1H3,(H,17,18)
InChIKeyYISXKTSMDFODFZ-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

2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 134799573
2-(2-methylfuran-3-yl)-1,3-benzoxazole-5-carboxylic acid
CID 81357944
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299124
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
2-(4-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-5-carboxylic acid
CID 136966654
1-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684
[[2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carbonyl]amino] 2,2,2-trifluoroacetate
CID 139485217
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole-5-carboxylic acid
CID 50849557
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357525
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134797934

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid (CID 11694515) is 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid is Cc1ncccc1-c1nc2cc(C(=O)O)ccc2o1.
What is the InChIKey of 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is YISXKTSMDFODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-10(3-2-6-15-8)13-16-11-7-9(14(17)18)4-5-12(11)19-13/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-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 2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 11694515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).