2-(1,3-benzoxazol-2-yl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 657512
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: c1(nc2c(o1)cccc2)N1CC2(CN(CC3CC3)CCC2)CC1
• Canonical SMILES: c1ccc2c(c1)oc(n2)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C19H25N3O/c1-2-5-17-16(4-1)20-18(23-17)22-11-9-19(14-22)8-3-10-21(13-19)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2
• InChIKey: FASJPYIQFCSTFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-benzoxazol-2-yl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(1,3-benzoxazol-2-yl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(1,3-benzoxazol-2-yl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.75
• LOG S: -3.67
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 0
• LogD (pH = 5.5): 0.10581628
• LogD (pH = 7.4): 1.5159334
• Log P: 3.4405189
• Molar Refractivity: 91.3486 cm^3
• Polarizability: 36.41583 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3