2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid

C10H7N3O4 — CID 63615601

IUPAC2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1cnoc1
InChIInChI=1S/C10H7N3O4/c14-9(13-6-4-12-17-5-6)8-7(10(15)16)2-1-3-11-8/h1-5H,(H,13,14)(H,15,16)
InChIKeyCQVNNRIBEFCHMY-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.02
Rot. Bonds3

About 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid

2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63615601) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63615601
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1cnoc1
InChIInChI=1S/C10H7N3O4/c14-9(13-6-4-12-17-5-6)8-7(10(15)16)2-1-3-11-8/h1-5H,(H,13,14)(H,15,16)
InChIKeyCQVNNRIBEFCHMY-UHFFFAOYSA-N
XLogP1.02
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62913801
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
2-(methylamino)-N-(1,2-oxazol-4-yl)benzamide
CID 62913787
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
2-[[4-(cyanomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616249
pyridine-2,3-dicarboxylic acid
CID 1066
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
N-(1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71797676
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid (CID 63615601) is 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)Nc1cnoc1.
What is the InChIKey of 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is CQVNNRIBEFCHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-9(13-6-4-12-17-5-6)8-7(10(15)16)2-1-3-11-8/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid?
2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63615601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).