N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 318915
• Molecular Formular: C22H23N5O3
• Molecular Mass: 405.44972
• Monoisotopic Mass: 405.18008962
• SMILES: c12c(non1)ccc(c2)CN(C(=O)CCc1nnc(o1)CCCc1ccccc1)C
• Canonical SMILES: O=C(N(Cc1ccc2c(c1)non2)C)CCc1nnc(o1)CCCc1ccccc1
• InChI: InChI=1S/C22H23N5O3/c1-27(15-17-10-11-18-19(14-17)26-30-25-18)22(28)13-12-21-24-23-20(29-21)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-11,14H,5,8-9,12-13,15H2,1H3
• InChIKey: LNBAAHULDLLKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.46406
• LogD (pH = 7.4): 2.4640603
• Log P: 2.4640603
• Molar Refractivity: 112.9872 cm^3
• Polarizability: 43.054966 Å^3
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.5
• LOG S: -4.38
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 9