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

C13H7ClN2O3 — CID 81357525

IUPAC2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccc(Cl)cn3)nc2c1
InChIInChI=1S/C13H7ClN2O3/c14-8-2-3-9(15-6-8)12-16-10-5-7(13(17)18)1-4-11(10)19-12/h1-6H,(H,17,18)
InChIKeyGBAFPBPHFZAFDY-UHFFFAOYSA-N
MW274.66 g/mol
LogP3.24
Rot. Bonds2

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

2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid (PubChem CID 81357525) has the molecular formula C13H7ClN2O3 and a molecular weight of 274.66 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
PubChem CID81357525
Molecular FormulaC13H7ClN2O3
Molecular Weight274.66 g/mol
Exact Mass274.01
IUPAC Name2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccc(Cl)cn3)nc2c1
InChIInChI=1S/C13H7ClN2O3/c14-8-2-3-9(15-6-8)12-16-10-5-7(13(17)18)1-4-11(10)19-12/h1-6H,(H,17,18)
InChIKeyGBAFPBPHFZAFDY-UHFFFAOYSA-N
XLogP3.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-2-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 67332100
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole-5-carboxylic acid
CID 50849557
2-(5-bromo-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358149
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098637
2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-5-carboxylic acid
CID 58230867
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 11694515
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358691
2-(2-methylfuran-3-yl)-1,3-benzoxazole-5-carboxylic acid
CID 81357944

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid (CID 81357525) is 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(-c3ccc(Cl)cn3)nc2c1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is GBAFPBPHFZAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O3/c14-8-2-3-9(15-6-8)12-16-10-5-7(13(17)18)1-4-11(10)19-12/h1-6H,(H,17,18).
What are the key properties of 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid?
2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 274.66 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 81357525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).