2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid

C15H14N2O4 — CID 43355762

IUPAC2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cc(C2CC2)on1)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-17(12-5-3-2-4-10(12)15(19)20)14(18)11-8-13(21-16-11)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyCHULOZCMWRVPOM-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.53
Rot. Bonds4

About 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid (PubChem CID 43355762) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid
PubChem CID43355762
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cc(C2CC2)on1)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-17(12-5-3-2-4-10(12)15(19)20)14(18)11-8-13(21-16-11)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyCHULOZCMWRVPOM-UHFFFAOYSA-N
XLogP2.53
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42892858
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55152096
N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 32812219
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 124606981
N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56962223
N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
CID 119043329
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334775
2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 79265864
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 37493820

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid (CID 43355762) is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid is CN(C(=O)c1cc(C2CC2)on1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid?
The InChIKey is CHULOZCMWRVPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17(12-5-3-2-4-10(12)15(19)20)14(18)11-8-13(21-16-11)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid?
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid is sourced from PubChem (CID 43355762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).