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

C15H17N3O4 — CID 119364265

IUPAC(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(-c2ccncc2)on1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-9(2)7-12(15(20)21)17-14(19)11-8-13(22-18-11)10-3-5-16-6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyHDGMLAMCUBMQGB-GFCCVEGCSA-N
MW303.32 g/mol
LogP1.97
Rot. Bonds6

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

(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid (PubChem CID 119364265) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
PubChem CID119364265
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(-c2ccncc2)on1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-9(2)7-12(15(20)21)17-14(19)11-8-13(22-18-11)10-3-5-16-6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyHDGMLAMCUBMQGB-GFCCVEGCSA-N
XLogP1.97
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364201
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313232
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
(2S)-2-[[(1S)-1-carboxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]amino]-4-methylpentanoic acid
CID 58632916
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119363475
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119587682

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid (CID 119364265) is (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1cc(-c2ccncc2)on1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is HDGMLAMCUBMQGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9(2)7-12(15(20)21)17-14(19)11-8-13(22-18-11)10-3-5-16-6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119364265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).