N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-(piperidin-4-ylmethyl)benzamide

• ChemBase ID: 703640
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: C(=O)(N(Cc1oncc1)C)c1cc(CC2CCNCC2)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)CC1CCNCC1)Cc1ccno1
• InChI: InChI=1S/C18H23N3O2/c1-21(13-17-7-10-20-23-17)18(22)16-4-2-3-15(12-16)11-14-5-8-19-9-6-14/h2-4,7,10,12,14,19H,5-6,8-9,11,13H2,1H3
• InChIKey: CWXMIIVRSBGOAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-(piperidin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-(piperidin-4-ylmethyl)benzamide
• Synonyms: N-(5-isoxazolylmethyl)-N-methyl-3-(4-piperidinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4016752
• LogD (pH = 7.4): -0.9447649
• Log P: 1.8298914
• Molar Refractivity: 90.8839 cm^3
• Polarizability: 34.185856 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.78
• LOG S: -2.15
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5