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

• ChemBase ID: 375101
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: C(=O)(C(N1CCCC1)c1cnccc1)N(Cc1noc(c1)C1CC1)C
• Canonical SMILES: O=C(C(c1cccnc1)N1CCCC1)N(Cc1noc(c1)C1CC1)C
• InChI: InChI=1S/C19H24N4O2/c1-22(13-16-11-17(25-21-16)14-6-7-14)19(24)18(23-9-2-3-10-23)15-5-4-8-20-12-15/h4-5,8,11-12,14,18H,2-3,6-7,9-10,13H2,1H3
• InChIKey: OJVCUCWCJPZUDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-[(5-cyclopropyl-3-isoxazolyl)methyl]-N-methyl-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0
• Log P: 0.46
• LOG S: -0.77
• Polar Surface Area: 62.47 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.39252084
• LogD (pH = 7.4): 1.0456784
• Log P: 1.2269378
• Molar Refractivity: 95.3058 cm^3
• Polarizability: 36.46193 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6