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

C15H16N2O4 — CID 119223590

IUPAC2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-3-11(15(19)20)16-13(18)12-9(2)21-14(17-12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySHDQUZBNSBGCSX-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.24
Rot. Bonds5

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

2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid (PubChem CID 119223590) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
PubChem CID119223590
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-3-11(15(19)20)16-13(18)12-9(2)21-14(17-12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySHDQUZBNSBGCSX-UHFFFAOYSA-N
XLogP2.24
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 75429021
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
5-methyl-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 9360964
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide
CID 35931956
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817
(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid
CID 119361397
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
(3S)-3-(2-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid;(3S)-3-(3-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 158190881

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid (CID 119223590) is 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid is CCC(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O.
What is the InChIKey of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The InChIKey is SHDQUZBNSBGCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-11(15(19)20)16-13(18)12-9(2)21-14(17-12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119223590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).