N-(cyclopropylmethyl)-5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 420809
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: n1c(c2c(c(OC)ccc2)OC)noc1c1cnc(NCC2CC2)cc1
• Canonical SMILES: COc1c(OC)cccc1c1noc(n1)c1ccc(nc1)NCC1CC1
• InChI: InChI=1S/C19H20N4O3/c1-24-15-5-3-4-14(17(15)25-2)18-22-19(26-23-18)13-8-9-16(21-11-13)20-10-12-6-7-12/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,20,21)
• InChIKey: SHHVHQPYXQMTSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-(cyclopropylmethyl)-5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N-(cyclopropylmethyl)-5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.3874395
• LogD (pH = 7.4): 3.5090249
• Log P: 3.5108306
• Molar Refractivity: 120.4056 cm^3
• Polarizability: 37.91687 Å^3
• Polar Surface Area: 82.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.01
• LOG S: -4.97
• Polar Surface Area: 82.3 Å^2
• Rotatable Bonds: 5