(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid

C14H15N3O5 — CID 10859711

IUPAC(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid
SMILESCC[C@@H](C(=O)O)n1cccc(NC(=O)c2cc(C)on2)c1=O
InChIInChI=1S/C14H15N3O5/c1-3-11(14(20)21)17-6-4-5-9(13(17)19)15-12(18)10-7-8(2)22-16-10/h4-7,11H,3H2,1-2H3,(H,15,18)(H,20,21)/t11-/m0/s1
InChIKeyQFTATRYHYKAUIR-NSHDSACASA-N
MW305.29 g/mol
LogP1.43
Rot. Bonds5

About (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid

(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 10859711) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid
PubChem CID10859711
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid
SMILESCC[C@@H](C(=O)O)n1cccc(NC(=O)c2cc(C)on2)c1=O
InChIInChI=1S/C14H15N3O5/c1-3-11(14(20)21)17-6-4-5-9(13(17)19)15-12(18)10-7-8(2)22-16-10/h4-7,11H,3H2,1-2H3,(H,15,18)(H,20,21)/t11-/m0/s1
InChIKeyQFTATRYHYKAUIR-NSHDSACASA-N
XLogP1.43
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
CID 101332426
ethyl (2R)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
CID 101332425
cyclobutyl (E,4S)-4-[[(2R)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 135763022
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
propan-2-yl (4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 91069567
ethyl 4-[[3-(4-fluorophenyl)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 78412248
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
3-[2-(3-benzamido-2-oxo-1-pyridinyl)butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 72958408
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131897206
5-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 60520237
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid (CID 10859711) is (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid is CC[C@@H](C(=O)O)n1cccc(NC(=O)c2cc(C)on2)c1=O.
What is the InChIKey of (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is QFTATRYHYKAUIR-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O5/c1-3-11(14(20)21)17-6-4-5-9(13(17)19)15-12(18)10-7-8(2)22-16-10/h4-7,11H,3H2,1-2H3,(H,15,18)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid?
(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 305.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 10859711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).