1-(1,3-benzoxazol-2-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]piperidin-4-amine

• ChemBase ID: 825751
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c1(nc2c(o1)cccc2)N1CCC(NC(Cc2nccnc2)C)CC1
• Canonical SMILES: CC(Cc1cnccn1)NC1CCN(CC1)c1nc2c(o1)cccc2
• InChI: InChI=1S/C19H23N5O/c1-14(12-16-13-20-8-9-21-16)22-15-6-10-24(11-7-15)19-23-17-4-2-3-5-18(17)25-19/h2-5,8-9,13-15,22H,6-7,10-12H2,1H3
• InChIKey: KJGMJXAOAPRZDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-benzoxazol-2-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]piperidin-4-amine
• IUPAC Traditional name: 1-(1,3-benzoxazol-2-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]piperidin-4-amine
• Synonyms: 1-(1,3-benzoxazol-2-yl)-N-(1-methyl-2-pyrazin-2-ylethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4242514
• LogD (pH = 7.4): -0.5497984
• Log P: 1.7801054
• Molar Refractivity: 95.6762 cm^3
• Polarizability: 38.218456 Å^3
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.82
• LOG S: -2.21
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 5