1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine

• ChemBase ID: 267483
• Molecular Formular: C15H19N3O
• Molecular Mass: 257.33086
• Monoisotopic Mass: 257.15281224
• SMILES: n1c(occ1CN1CCC(CC1)N)c1ccccc1
• Canonical SMILES: NC1CCN(CC1)Cc1coc(n1)c1ccccc1
• InChI: InChI=1S/C15H19N3O/c16-13-6-8-18(9-7-13)10-14-11-19-15(17-14)12-4-2-1-3-5-12/h1-5,11,13H,6-10,16H2
• InChIKey: AOWMISIZPXLQGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
• Synonyms: 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD12481532
• PubChem SID: 164323393
• PubChem CID: 43556549

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9020376
• LogD (pH = 7.4): -1.5843114
• Log P: 1.1739539
• Molar Refractivity: 85.2713 cm^3
• Polarizability: 29.970964 Å^3
• Polar Surface Area: 55.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.959

Product Information

• Purity: 95%