N-methyl-N-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}oxolan-3-amine

• ChemBase ID: 421596
• Molecular Formular: C14H18N2O2S
• Molecular Mass: 278.36992
• Monoisotopic Mass: 278.10889883
• SMILES: n1c(c(oc1c1sccc1)C)CN(C1CCOC1)C
• Canonical SMILES: CN(C1COCC1)Cc1nc(oc1C)c1cccs1
• InChI: InChI=1S/C14H18N2O2S/c1-10-12(8-16(2)11-5-6-17-9-11)15-14(18-10)13-4-3-7-19-13/h3-4,7,11H,5-6,8-9H2,1-2H3
• InChIKey: RRFWJVVBJUCMKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}oxolan-3-amine
• IUPAC Traditional name: N-methyl-N-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}oxolan-3-amine
• Synonyms: N-methyl-N-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}tetrahydro-3-furanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14569764
• LogD (pH = 7.4): 1.6310506
• Log P: 1.8407118
• Molar Refractivity: 85.5392 cm^3
• Polarizability: 29.565567 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.16
• LOG S: -1.44
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4