1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid

C14H12N2O4 — CID 115912936

IUPAC1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)c1ccon1
InChIInChI=1S/C14H12N2O4/c17-12(11-5-8-20-16-11)15-10-3-1-9(2-4-10)14(6-7-14)13(18)19/h1-5,8H,6-7H2,(H,15,17)(H,18,19)
InChIKeyQWUYSTMEKZTAIZ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid

1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115912936) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid
PubChem CID115912936
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)c1ccon1
InChIInChI=1S/C14H12N2O4/c17-12(11-5-8-20-16-11)15-10-3-1-9(2-4-10)14(6-7-14)13(18)19/h1-5,8H,6-7H2,(H,15,17)(H,18,19)
InChIKeyQWUYSTMEKZTAIZ-UHFFFAOYSA-N
XLogP2.04
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-(biphenyl-4-ylamino)-5-oxopentyl)-N-hydroxyisoxazole-3-carboxamide
CID 44574181
Methyl 2-[(5-cyclopropylisoxazol-3-yl)carbonylamino]benzoate
CID 5308975
2-[[Oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester
CID 5308358
5-Cyano-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 44439141
Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester
CID 3073013
Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-
CID 3073014
3-Isoxazolecarboxamide, N-(2-(hydroxymethyl)-6-methylphenyl)-5-methyl-
CID 3073017
5-(3-Butyramidophenyl)isoxazole-3-carboxylic acid
CID 44344024
N-(3-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43417670
3-(1,2-Oxazole-3-amido)benzoic acid
CID 61803329
Methyl 4-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]butanoate
CID 172432165
(5-cyclopropylisoxazol-3-yl)-N-(4-ethylphenyl)carboxamide
CID 17253213

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid (CID 115912936) is 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(C2(C(=O)O)CC2)cc1)c1ccon1.
What is the InChIKey of 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QWUYSTMEKZTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12(11-5-8-20-16-11)15-10-3-1-9(2-4-10)14(6-7-14)13(18)19/h1-5,8H,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115912936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).