1-[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]cyclopropan-1-amine

• ChemBase ID: 580884
• Molecular Formular: C16H16FN3O2
• Molecular Mass: 301.3155432
• Monoisotopic Mass: 301.12265499
• SMILES: c12c(noc2CCN(C(=O)C2(CC2)N)C1)c1c(F)cccc1
• Canonical SMILES: O=C(C1(N)CC1)N1CCc2c(C1)c(no2)c1ccccc1F
• InChI: InChI=1S/C16H16FN3O2/c17-12-4-2-1-3-10(12)14-11-9-20(8-5-13(11)22-19-14)15(21)16(18)6-7-16/h1-4H,5-9,18H2
• InChIKey: FYKWMQWXBPGNSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[3-(2-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]cyclopropan-1-amine
• Synonyms: (1-{[3-(2-fluorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}cyclopropyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3976024
• LogD (pH = 7.4): 0.26254743
• Log P: 1.18263
• Molar Refractivity: 79.2027 cm^3
• Polarizability: 31.099499 Å^3
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.74
• LOG S: -2.03
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 2