N-[(3-chlorophenyl)methyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 574410
• Molecular Formular: C13H14ClN3O
• Molecular Mass: 263.72276
• Monoisotopic Mass: 263.08253976
• SMILES: c1(oc(nn1)C1CC1)N(Cc1cc(Cl)ccc1)C
• Canonical SMILES: Clc1cccc(c1)CN(c1nnc(o1)C1CC1)C
• InChI: InChI=1S/C13H14ClN3O/c1-17(8-9-3-2-4-11(14)7-9)13-16-15-12(18-13)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3
• InChIKey: FBZDBILYXPRNTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-chlorophenyl)methyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-[(3-chlorophenyl)methyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-(3-chlorobenzyl)-5-cyclopropyl-N-methyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9783578
• LogD (pH = 7.4): 2.978358
• Log P: 2.9783583
• Molar Refractivity: 72.1428 cm^3
• Polarizability: 26.462421 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.9
• LOG S: -3.79
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4