{5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl}(methyl)amine

• ChemBase ID: 265488
• Molecular Formular: C15H19FN2O
• Molecular Mass: 262.3225632
• Monoisotopic Mass: 262.14814146
• SMILES: n1c(cc(o1)CCCCCNC)c1cc(F)ccc1
• Canonical SMILES: CNCCCCCc1onc(c1)c1cccc(c1)F
• InChI: InChI=1S/C15H19FN2O/c1-17-9-4-2-3-8-14-11-15(18-19-14)12-6-5-7-13(16)10-12/h5-7,10-11,17H,2-4,8-9H2,1H3
• InChIKey: UGFJYAAJUMUUDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl}(methyl)amine
• IUPAC Traditional name: {5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl}(methyl)amine
• Synonyms: {5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl}(methyl)amine

Database IDs

• MDL Number: MFCD14705767
• PubChem SID: 164321398
• PubChem CID: 47002418

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22313786
• LogD (pH = 7.4): 0.5685224
• Log P: 3.4583786
• Molar Refractivity: 74.3181 cm^3
• Polarizability: 29.409513 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.037

Product Information

• Purity: 95%