1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine

• ChemBase ID: 271733
• Molecular Formular: C14H17N3O
• Molecular Mass: 243.30428
• Monoisotopic Mass: 243.13716218
• SMILES: n1c(oc(c1)c1ccccc1)CN1CCNCC1
• Canonical SMILES: N1CCN(CC1)Cc1ncc(o1)c1ccccc1
• InChI: InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)13-10-16-14(18-13)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2
• InChIKey: JDCCWCNNHAYIDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine
• IUPAC Traditional name: 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine
• Synonyms: 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine

Database IDs

• MDL Number: MFCD11211669
• PubChem SID: 164327643
• PubChem CID: 43162406

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1598637
• LogD (pH = 7.4): -0.8455549
• Log P: 0.96099854
• Molar Refractivity: 70.4062 cm^3
• Polarizability: 28.82363 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.652

Product Information

• Purity: 95%