1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

• ChemBase ID: 320940
• Molecular Formular: C19H19FN4O3
• Molecular Mass: 370.3775632
• Monoisotopic Mass: 370.14411871
• SMILES: c1(c2noc(c2)C)nnc(o1)CCC(=O)N1C(c2ccc(cc2)F)CCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCN1C(=O)CCc1nnc(o1)c1noc(c1)C
• InChI: InChI=1S/C19H19FN4O3/c1-12-11-15(23-27-12)19-22-21-17(26-19)8-9-18(25)24-10-2-3-16(24)13-4-6-14(20)7-5-13/h4-7,11,16H,2-3,8-10H2,1H3
• InChIKey: VAEAYKFTTZDQOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
• IUPAC Traditional name: 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
• Synonyms: 2-{3-[2-(4-fluorophenyl)-1-pyrrolidinyl]-3-oxopropyl}-5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8504894
• LogD (pH = 7.4): 1.8504894
• Log P: 1.8504894
• Molar Refractivity: 107.2947 cm^3
• Polarizability: 36.19778 Å^3
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.1
• LOG S: -4.43
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 5