N-(3-methoxyphenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]propanamide

• ChemBase ID: 657126
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: n1c(cco1)CN1CCC(CCC(=O)Nc2cc(OC)ccc2)CC1
• Canonical SMILES: COc1cccc(c1)NC(=O)CCC1CCN(CC1)Cc1nocc1
• InChI: InChI=1S/C19H25N3O3/c1-24-18-4-2-3-16(13-18)20-19(23)6-5-15-7-10-22(11-8-15)14-17-9-12-25-21-17/h2-4,9,12-13,15H,5-8,10-11,14H2,1H3,(H,20,23)
• InChIKey: MHCRIQKFQTWIMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]propanamide
• Synonyms: 3-[1-(3-isoxazolylmethyl)-4-piperidinyl]-N-(3-methoxyphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785154
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3281344
• LogD (pH = 7.4): 1.9753722
• Log P: 2.3435712
• Molar Refractivity: 97.819 cm^3
• Polarizability: 36.993965 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.21
• LOG S: -3.08
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 6