N1,N1-dimethyl-N3,N3-bis(1,3-oxazol-4-ylmethyl)piperidine-1,3-dicarboxamide

• ChemBase ID: 737824
• Molecular Formular: C17H23N5O4
• Molecular Mass: 361.39562
• Monoisotopic Mass: 361.17500424
• SMILES: C(=O)(N1CC(C(=O)N(Cc2ncoc2)Cc2ncoc2)CCC1)N(C)C
• Canonical SMILES: O=C(N(Cc1cocn1)Cc1cocn1)C1CCCN(C1)C(=O)N(C)C
• InChI: InChI=1S/C17H23N5O4/c1-20(2)17(24)21-5-3-4-13(6-21)16(23)22(7-14-9-25-11-18-14)8-15-10-26-12-19-15/h9-13H,3-8H2,1-2H3
• InChIKey: QPVXOWZCNUWSTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N3,N3-bis(1,3-oxazol-4-ylmethyl)piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N3,N3-bis(1,3-oxazol-4-ylmethyl)piperidine-1,3-dicarboxamide
• Synonyms: N~1~,N~1~-dimethyl-N~3~,N~3~-bis(1,3-oxazol-4-ylmethyl)piperidine-1,3-dicarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1040314
• LogD (pH = 7.4): -1.1040292
• Log P: -1.1040292
• Molar Refractivity: 92.1725 cm^3
• Polarizability: 35.093285 Å^3
• Polar Surface Area: 95.92 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: -0.93
• LOG S: -2.35
• Polar Surface Area: 95.92 Å^2
• Rotatable Bonds: 5