2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C15H14N2O4 — CID 120550999

IUPAC2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1coc(-c2cccc(NC(=O)C3CC3C(=O)O)c2)n1
InChIInChI=1S/C15H14N2O4/c1-8-7-21-14(16-8)9-3-2-4-10(5-9)17-13(18)11-6-12(11)15(19)20/h2-5,7,11-12H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyIGPGKGQWGMBIRH-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.31
Rot. Bonds4

About 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120550999) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120550999
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1coc(-c2cccc(NC(=O)C3CC3C(=O)O)c2)n1
InChIInChI=1S/C15H14N2O4/c1-8-7-21-14(16-8)9-3-2-4-10(5-9)17-13(18)11-6-12(11)15(19)20/h2-5,7,11-12H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyIGPGKGQWGMBIRH-UHFFFAOYSA-N
XLogP2.31
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120935775
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119337937
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934454
2-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180289
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
CID 110025780
4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 126788415
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 120550999) is 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1coc(-c2cccc(NC(=O)C3CC3C(=O)O)c2)n1.
What is the InChIKey of 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IGPGKGQWGMBIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-7-21-14(16-8)9-3-2-4-10(5-9)17-13(18)11-6-12(11)15(19)20/h2-5,7,11-12H,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120550999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).