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

C16H18N2O4 — CID 75429021

IUPAC2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-4-16(3,15(20)21)18-13(19)12-10(2)22-14(17-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCMTISMVDBZJAES-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.63
Rot. Bonds5

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

2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid (PubChem CID 75429021) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
PubChem CID75429021
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-4-16(3,15(20)21)18-13(19)12-10(2)22-14(17-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCMTISMVDBZJAES-UHFFFAOYSA-N
XLogP2.63
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120518600
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide
CID 35931956
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46480430
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
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid (CID 75429021) is 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The InChIKey is CMTISMVDBZJAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-16(3,15(20)21)18-13(19)12-10(2)22-14(17-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 75429021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).