N-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 321128
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: C1(CC1)(Cn1cncc1)CNC(=O)CCN1OCCCC1
• Canonical SMILES: O=C(NCC1(CC1)Cn1cncc1)CCN1CCCCO1
• InChI: InChI=1S/C15H24N4O2/c20-14(3-8-19-7-1-2-10-21-19)17-11-15(4-5-15)12-18-9-6-16-13-18/h6,9,13H,1-5,7-8,10-12H2,(H,17,20)
• InChIKey: KUYGIGWGEVDTIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-{[1-(imidazol-1-ylmethyl)cyclopropyl]methyl}-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.696636
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.71752447
• LogD (pH = 7.4): -0.25250322
• Log P: -0.18440264
• Molar Refractivity: 79.7472 cm^3
• Polarizability: 31.22515 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.0
• LOG S: -2.19
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7