[(5-cyclopropyl-1,3-oxazol-2-yl)methyl](methyl)amine

• ChemBase ID: 244580
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1(oc(nc1)CNC)C1CC1
• Canonical SMILES: CNCc1ncc(o1)C1CC1
• InChI: InChI=1S/C8H12N2O/c1-9-5-8-10-4-7(11-8)6-2-3-6/h4,6,9H,2-3,5H2,1H3
• InChIKey: GDMMWBWTRPJYJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21130655
• PubChem SID: 164300490
• PubChem CID: 65178506

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6389983
• LogD (pH = 7.4): -0.09200543
• Log P: 0.16998312
• Molar Refractivity: 41.6855 cm^3
• Polarizability: 16.236622 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.098

Product Information

• Purity: 95%