3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid

C15H16N2O4 — CID 119232828

IUPAC3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccc(-c2ocnc2C(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C15H16N2O4/c1-10-3-5-11(6-4-10)14-13(16-9-21-14)15(20)17(2)8-7-12(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyMAHJANMZLZUBQH-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.20
Rot. Bonds5

About 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid

3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid (PubChem CID 119232828) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
PubChem CID119232828
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccc(-c2ocnc2C(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C15H16N2O4/c1-10-3-5-11(6-4-10)14-13(16-9-21-14)15(20)17(2)8-7-12(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyMAHJANMZLZUBQH-UHFFFAOYSA-N
XLogP2.20
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic 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 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid (CID 119232828) is 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid is Cc1ccc(-c2ocnc2C(=O)N(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid?
The InChIKey is MAHJANMZLZUBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-3-5-11(6-4-10)14-13(16-9-21-14)15(20)17(2)8-7-12(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid?
3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119232828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).