2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid

C15H16N2O4 — CID 119209043

IUPAC2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)17(3)14(18)12-10(2)21-13(16-12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,19,20)
InChIKeyLBCNUBDWEKXGND-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.20
Rot. Bonds4

About 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid

2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 119209043) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID119209043
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)17(3)14(18)12-10(2)21-13(16-12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,19,20)
InChIKeyLBCNUBDWEKXGND-UHFFFAOYSA-N
XLogP2.20
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 47023722
N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 38622620
N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56500650
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
N-ethyl-5-methyl-N-naphthalen-1-yl-2-phenyl-1,3-oxazole-4-carboxamide
CID 55614801
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590
N-(2-fluorophenyl)-2-(4-methoxyphenyl)-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 166209757
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119358383
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950136

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid (CID 119209043) is 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid is Cc1oc(-c2ccccc2)nc1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is LBCNUBDWEKXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(15(19)20)17(3)14(18)12-10(2)21-13(16-12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119209043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).