N-methyl-N-[2-(oxan-2-yl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 835580
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: n1nc(oc1COc1ccccc1)CCC(=O)N(CCC1OCCCC1)C
• Canonical SMILES: O=C(N(CCC1CCCCO1)C)CCc1nnc(o1)COc1ccccc1
• InChI: InChI=1S/C20H27N3O4/c1-23(13-12-17-9-5-6-14-25-17)20(24)11-10-18-21-22-19(27-18)15-26-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3
• InChIKey: YYGNNCKOTLCBAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(oxan-2-yl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-methyl-N-[2-(oxan-2-yl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-methyl-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1061082
• LogD (pH = 7.4): 1.1061083
• Log P: 1.1061083
• Molar Refractivity: 102.0571 cm^3
• Polarizability: 39.004635 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.57
• LOG S: -3.32
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 9