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

C16H18N2O4 — CID 119188577

IUPAC4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(-c2ccccc2)no1)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-10(2)8-13(16(20)21)17-15(19)14-9-12(18-22-14)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKMDPXHIIYRHEPW-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.57
Rot. Bonds6

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

4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid (PubChem CID 119188577) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
PubChem CID119188577
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(-c2ccccc2)no1)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-10(2)8-13(16(20)21)17-15(19)14-9-12(18-22-14)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKMDPXHIIYRHEPW-UHFFFAOYSA-N
XLogP2.57
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 103856479
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119366892
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 119364265
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid (CID 119188577) is 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1cc(-c2ccccc2)no1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is KMDPXHIIYRHEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(2)8-13(16(20)21)17-15(19)14-9-12(18-22-14)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119188577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).