2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

• ChemBase ID: 362140
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: c1(onc(c1)C)CN(C(=O)CN1CC(CC1)N(C)C)C
• Canonical SMILES: CN(C1CCN(C1)CC(=O)N(Cc1onc(c1)C)C)C
• InChI: InChI=1S/C14H24N4O2/c1-11-7-13(20-15-11)9-17(4)14(19)10-18-6-5-12(8-18)16(2)3/h7,12H,5-6,8-10H2,1-4H3
• InChIKey: WWGMZWICYJRKQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
• Synonyms: 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.8699787
• LogD (pH = 7.4): -2.353429
• Log P: -0.5842015
• Molar Refractivity: 78.7976 cm^3
• Polarizability: 30.031536 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.85
• LOG S: -1.83
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 5