N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide

C15H18BrN3O3 — CID 154739095

IUPACN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
SMILESCCC(C(=O)Nc1cc(Br)cn(C)c1=O)c1c(C)noc1C
InChIInChI=1S/C15H18BrN3O3/c1-5-11(13-8(2)18-22-9(13)3)14(20)17-12-6-10(16)7-19(4)15(12)21/h6-7,11H,5H2,1-4H3,(H,17,20)
InChIKeyFCOFUTMUOGRFCZ-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.88
Rot. Bonds4

About N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide (PubChem CID 154739095) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
PubChem CID154739095
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
SMILESCCC(C(=O)Nc1cc(Br)cn(C)c1=O)c1c(C)noc1C
InChIInChI=1S/C15H18BrN3O3/c1-5-11(13-8(2)18-22-9(13)3)14(20)17-12-6-10(16)7-19(4)15(12)21/h6-7,11H,5H2,1-4H3,(H,17,20)
InChIKeyFCOFUTMUOGRFCZ-UHFFFAOYSA-N
XLogP2.88
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-1,2-oxazol-3-yl)butanamide
CID 132970595
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-nitrophenyl)butanamide
CID 95977922
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 99818074
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
CID 138004605
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea
CID 111926881
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111926870
N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide
CID 95977615
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide
CID 52510455
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926883
3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 132970273

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide (CID 154739095) is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The canonical SMILES for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide is CCC(C(=O)Nc1cc(Br)cn(C)c1=O)c1c(C)noc1C.
What is the InChIKey of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The InChIKey is FCOFUTMUOGRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-5-11(13-8(2)18-22-9(13)3)14(20)17-12-6-10(16)7-19(4)15(12)21/h6-7,11H,5H2,1-4H3,(H,17,20).
What are the key properties of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide has a molecular weight of 368.23 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 154739095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).