5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

C13H11N3O4 — CID 142773853

IUPAC5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccnc2)noc1NC(=O)C1CC1
InChIInChI=1S/C13H11N3O4/c17-11(7-3-4-7)15-12-9(13(18)19)10(16-20-12)8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,17)(H,18,19)
InChIKeyMPSQWFRWHXMZLT-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.78
Rot. Bonds4

About 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142773853) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142773853
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccnc2)noc1NC(=O)C1CC1
InChIInChI=1S/C13H11N3O4/c17-11(7-3-4-7)15-12-9(13(18)19)10(16-20-12)8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,17)(H,18,19)
InChIKeyMPSQWFRWHXMZLT-UHFFFAOYSA-N
XLogP1.78
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid
CID 175242426
5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142774008
5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368292
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932
5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368213
5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162798345
5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 45087025
5-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 146119660
N-cyclopropyl-5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 162800243
N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 53321372
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 142773853) is 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2cccnc2)noc1NC(=O)C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is MPSQWFRWHXMZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-11(7-3-4-7)15-12-9(13(18)19)10(16-20-12)8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,17)(H,18,19).
What are the key properties of 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).