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

C16H18N2O4 — CID 119211721

IUPAC3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1coc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-3-10(2)13(16(20)21)18-14(19)12-9-22-15(17-12)11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFVODSTBVFONQHJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.57
Rot. Bonds6

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

3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid (PubChem CID 119211721) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
PubChem CID119211721
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1coc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-3-10(2)13(16(20)21)18-14(19)12-9-22-15(17-12)11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFVODSTBVFONQHJ-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

methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
CID 110835139
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid (CID 119211721) is 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1coc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is FVODSTBVFONQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-10(2)13(16(20)21)18-14(19)12-9-22-15(17-12)11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid?
3-methyl-2-[(2-phenyl-1,3-oxazole-4-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 3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119211721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).