N-(cyclopropylmethyl)-N-propyl-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide

• ChemBase ID: 512508
• Molecular Formular: C20H28N6O2
• Molecular Mass: 384.47532
• Monoisotopic Mass: 384.22737417
• SMILES: c1(nc(oc1)CN1CCN(c2ncccn2)CC1)C(=O)N(CC1CC1)CCC
• Canonical SMILES: CCCN(C(=O)c1coc(n1)CN1CCN(CC1)c1ncccn1)CC1CC1
• InChI: InChI=1S/C20H28N6O2/c1-2-8-26(13-16-4-5-16)19(27)17-15-28-18(23-17)14-24-9-11-25(12-10-24)20-21-6-3-7-22-20/h3,6-7,15-16H,2,4-5,8-14H2,1H3
• InChIKey: OUIOGUOXBRRZBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-N-propyl-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-N-propyl-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide
• Synonyms: N-(cyclopropylmethyl)-N-propyl-2-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5964918
• LogD (pH = 7.4): 1.7643465
• Log P: 1.7669662
• Molar Refractivity: 107.5104 cm^3
• Polarizability: 40.28852 Å^3
• Polar Surface Area: 78.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.17
• LOG S: -2.02
• Polar Surface Area: 78.6 Å^2
• Rotatable Bonds: 6