methyl 1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-2-carboxylate

• ChemBase ID: 416449
• Molecular Formular: C18H21FN2O3
• Molecular Mass: 332.3693432
• Monoisotopic Mass: 332.15362076
• SMILES: n1c(c(oc1c1cc(F)ccc1)C)CN1C(C(=O)OC)CCCC1
• Canonical SMILES: COC(=O)C1CCCCN1Cc1nc(oc1C)c1cccc(c1)F
• InChI: InChI=1S/C18H21FN2O3/c1-12-15(11-21-9-4-3-8-16(21)18(22)23-2)20-17(24-12)13-6-5-7-14(19)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3
• InChIKey: SWOJXKHVIDSMQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-2-carboxylate
• IUPAC Traditional name: methyl 1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-2-carboxylate
• Synonyms: methyl 1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5327878
• LogD (pH = 7.4): 2.9811075
• Log P: 2.991239
• Molar Refractivity: 97.9966 cm^3
• Polarizability: 34.31953 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.28
• LOG S: -3.28
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4