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

• ChemBase ID: 270309
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1c(oc(c1C)C)CN1CCNCC1
• Canonical SMILES: Cc1oc(nc1C)CN1CCNCC1
• InChI: InChI=1S/C10H17N3O/c1-8-9(2)14-10(12-8)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3
• InChIKey: UXSPOOMNZAMVAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(dimethyl-1,3-oxazol-2-yl)methyl]piperazine
• IUPAC Traditional name: 1-[(dimethyl-1,3-oxazol-2-yl)methyl]piperazine
• Synonyms: 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine

Database IDs

• MDL Number: MFCD12773081
• PubChem SID: 164326219
• PubChem CID: 50987625

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3936803
• LogD (pH = 7.4): -2.0802813
• Log P: -0.27529645
• Molar Refractivity: 55.1337 cm^3
• Polarizability: 21.367117 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.042

Product Information

• Purity: 95%