N-methyl-5-(morpholin-4-ylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-3-carboxamide

• ChemBase ID: 664090
• Molecular Formular: C20H22N4O4
• Molecular Mass: 382.41308
• Monoisotopic Mass: 382.1641052
• SMILES: c1(C(=O)N(Cc2nc(no2)c2ccccc2)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: CN(C(=O)c1coc(c1)CN1CCOCC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C20H22N4O4/c1-23(13-18-21-19(22-28-18)15-5-3-2-4-6-15)20(25)16-11-17(27-14-16)12-24-7-9-26-10-8-24/h2-6,11,14H,7-10,12-13H2,1H3
• InChIKey: QLUWJDUVOSLZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(morpholin-4-ylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-3-carboxamide
• IUPAC Traditional name: N-methyl-5-(morpholin-4-ylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-3-carboxamide
• Synonyms: N-methyl-5-(4-morpholinylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-furamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6551474
• LogD (pH = 7.4): 1.9788585
• Log P: 1.9850346
• Molar Refractivity: 114.9047 cm^3
• Polarizability: 39.417164 Å^3
• Polar Surface Area: 84.84 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 7
• H Donor: 0
• Log P: 1.4
• LOG S: -3.18
• Polar Surface Area: 84.84 Å^2