{[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methyl}(methyl){[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 405239
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1c(noc1CN(Cc1cc(Cn2nccc2)c(cc1)OC)C)C(C)C
• Canonical SMILES: COc1ccc(cc1Cn1cccn1)CN(Cc1onc(n1)C(C)C)C
• InChI: InChI=1S/C19H25N5O2/c1-14(2)19-21-18(26-22-19)13-23(3)11-15-6-7-17(25-4)16(10-15)12-24-9-5-8-20-24/h5-10,14H,11-13H2,1-4H3
• InChIKey: AHPFFFUQFLGRCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methyl}(methyl){[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: [(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]({[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl})methylamine
• Synonyms: 1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2661026
• LogD (pH = 7.4): 3.1494577
• Log P: 3.1879592
• Molar Refractivity: 112.9614 cm^3
• Polarizability: 38.206833 Å^3
• Polar Surface Area: 69.21 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: 2.2
• LOG S: -2.66
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 8