N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine

• ChemBase ID: 243130
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: c1(c(onc1C)C)CNC1CC1
• Canonical SMILES: Cc1onc(c1CNC1CC1)C
• InChI: InChI=1S/C9H14N2O/c1-6-9(7(2)12-11-6)5-10-8-3-4-8/h8,10H,3-5H2,1-2H3
• InChIKey: WOQINBWXORXYAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
• Synonyms: N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine

Database IDs

• MDL Number: MFCD11170568
• PubChem SID: 164299040
• PubChem CID: 28780690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0690143
• LogD (pH = 7.4): -0.37832698
• Log P: 0.6926361
• Molar Refractivity: 47.7004 cm^3
• Polarizability: 17.998262 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.511

Product Information

• Purity: 95%