2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid

C10H7N3O4 — CID 91669614

IUPAC2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)co1)c1ccncc1
InChIInChI=1S/C10H7N3O4/c14-8(6-1-3-11-4-2-6)13-10-12-7(5-17-10)9(15)16/h1-5H,(H,15,16)(H,12,13,14)
InChIKeyGEWAOTZIINQGPQ-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.02
Rot. Bonds3

About 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid

2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid (PubChem CID 91669614) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
PubChem CID91669614
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)co1)c1ccncc1
InChIInChI=1S/C10H7N3O4/c14-8(6-1-3-11-4-2-6)13-10-12-7(5-17-10)9(15)16/h1-5H,(H,15,16)(H,12,13,14)
InChIKeyGEWAOTZIINQGPQ-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

N-cycloheptyl-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717053
2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 90515066
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717065
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
CID 90514961
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid
CID 107588927
N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 90515048
N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90514908
2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515068
2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 166178227

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid (CID 91669614) is 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid is O=C(Nc1nc(C(=O)O)co1)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is GEWAOTZIINQGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-8(6-1-3-11-4-2-6)13-10-12-7(5-17-10)9(15)16/h1-5H,(H,15,16)(H,12,13,14).
What are the key properties of 2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid?
2-(pyridine-4-carbonylamino)-1,3-oxazole-4-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-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 91669614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).