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

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

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

Launch Full Analysis

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).