N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)propanamide

• ChemBase ID: 774193
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: n1c(noc1CCC(=O)N(Cc1noc2c1CCCC2)C)c1ccccc1
• Canonical SMILES: O=C(N(Cc1noc2c1CCCC2)C)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C20H22N4O3/c1-24(13-16-15-9-5-6-10-17(15)26-22-16)19(25)12-11-18-21-20(23-27-18)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3
• InChIKey: ILDFBUYMIPKHKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)propanamide
• IUPAC Traditional name: N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)propanamide
• Synonyms: N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2789798
• LogD (pH = 7.4): 3.2789807
• Log P: 3.2789807
• Molar Refractivity: 112.0809 cm^3
• Polarizability: 38.205612 Å^3
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.95
• LOG S: -4.39
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 6