5-cyclopropyl-N,N-bis(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 643835
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(C(=O)N(Cc2ccncc2)Cc2ccncc2)c(C2CC2)ocn1
• Canonical SMILES: O=C(c1ncoc1C1CC1)N(Cc1ccncc1)Cc1ccncc1
• InChI: InChI=1S/C19H18N4O2/c24-19(17-18(16-1-2-16)25-13-22-17)23(11-14-3-7-20-8-4-14)12-15-5-9-21-10-6-15/h3-10,13,16H,1-2,11-12H2
• InChIKey: RWILPSFRZPCVFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N,N-bis(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N,N-bis(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: 5-cyclopropyl-N,N-bis(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0167179
• LogD (pH = 7.4): 1.232673
• Log P: 1.235912
• Molar Refractivity: 92.5217 cm^3
• Polarizability: 34.946762 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.09
• LOG S: -1.57
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 6