5-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 783784
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c1(C(=O)N(Cc2cnccc2)CCCn2cncc2)c(C2CC2)ocn1
• Canonical SMILES: O=C(c1ncoc1C1CC1)N(Cc1cccnc1)CCCn1cncc1
• InChI: InChI=1S/C19H21N5O2/c25-19(17-18(16-4-5-16)26-14-22-17)24(12-15-3-1-6-20-11-15)9-2-8-23-10-7-21-13-23/h1,3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2
• InChIKey: ACMYNTPTJKBYLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-[3-(imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: 5-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.090899
• LogD (pH = 7.4): 0.6263233
• Log P: 0.69599795
• Molar Refractivity: 96.8719 cm^3
• Polarizability: 36.361385 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.23
• LOG S: -1.58
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 8