2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-1,3-benzoxazole

• ChemBase ID: 830882
• Molecular Formular: C14H15N5O2
• Molecular Mass: 285.3012
• Monoisotopic Mass: 285.12257475
• SMILES: c1(nc2c(o1)cccc2)N1CCN(c2oc(nn2)C)CC1
• Canonical SMILES: Cc1nnc(o1)N1CCN(CC1)c1nc2c(o1)cccc2
• InChI: InChI=1S/C14H15N5O2/c1-10-16-17-14(20-10)19-8-6-18(7-9-19)13-15-11-4-2-3-5-12(11)21-13/h2-5H,6-9H2,1H3
• InChIKey: VHUJXUZFKPNXIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-1,3-benzoxazole
• IUPAC Traditional name: 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-1,3-benzoxazole
• Synonyms: 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6391497
• LogD (pH = 7.4): 1.6391535
• Log P: 1.6391535
• Molar Refractivity: 78.0132 cm^3
• Polarizability: 29.222971 Å^3
• Polar Surface Area: 71.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.99
• LOG S: -3.27
• Polar Surface Area: 71.43 Å^2
• Rotatable Bonds: 2