(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide

C14H18N4O2 — CID 35789320

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
SMILESCC[C@H](NCc1ccccn1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H18N4O2/c1-3-12(16-9-11-6-4-5-7-15-11)14(19)17-13-8-10(2)20-18-13/h4-8,12,16H,3,9H2,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyCRPIFGGMVVIINU-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds6

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide (PubChem CID 35789320) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
PubChem CID35789320
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
SMILESCC[C@H](NCc1ccccn1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H18N4O2/c1-3-12(16-9-11-6-4-5-7-15-11)14(19)17-13-8-10(2)20-18-13/h4-8,12,16H,3,9H2,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyCRPIFGGMVVIINU-LBPRGKRZSA-N
XLogP1.88
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35623653
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 32510370
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976771
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide
CID 167906524
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087205
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)-2-pyridin-2-ylacetamide
CID 110373519

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide (CID 35789320) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide is CC[C@H](NCc1ccccn1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide?
The InChIKey is CRPIFGGMVVIINU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-12(16-9-11-6-4-5-7-15-11)14(19)17-13-8-10(2)20-18-13/h4-8,12,16H,3,9H2,1-2H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide has a molecular weight of 274.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide is sourced from PubChem (CID 35789320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).