[(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)[(1-methyl-1H-indol-5-yl)methyl]amine

• ChemBase ID: 820641
• Molecular Formular: C18H21N3O
• Molecular Mass: 295.37884
• Monoisotopic Mass: 295.16846231
• SMILES: c1(cc(no1)CN(Cc1cc2c(n(cc2)C)cc1)C)C1CC1
• Canonical SMILES: CN(Cc1noc(c1)C1CC1)Cc1ccc2c(c1)ccn2C
• InChI: InChI=1S/C18H21N3O/c1-20(12-16-10-18(22-19-16)14-4-5-14)11-13-3-6-17-15(9-13)7-8-21(17)2/h3,6-10,14H,4-5,11-12H2,1-2H3
• InChIKey: WQAHQFROXSYYGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)[(1-methyl-1H-indol-5-yl)methyl]amine
• IUPAC Traditional name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)[(1-methylindol-5-yl)methyl]amine
• Synonyms: 1-(5-cyclopropylisoxazol-3-yl)-N-methyl-N-[(1-methyl-1H-indol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6318572
• LogD (pH = 7.4): 2.9152145
• Log P: 3.0309017
• Molar Refractivity: 88.4594 cm^3
• Polarizability: 34.654873 Å^3
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.08
• LOG S: -2.98
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 5