(5-cyclopropyl-1,2-oxazol-3-yl)methanamine

• ChemBase ID: 308446
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(cc(no1)CN)C1CC1
• Canonical SMILES: NCc1noc(c1)C1CC1
• InChI: InChI=1S/C7H10N2O/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4,8H2
• InChIKey: YAGKRVQCDOMDOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-cyclopropyl-1,2-oxazol-3-yl)methanamine
• IUPAC Traditional name: (5-cyclopropyl-1,2-oxazol-3-yl)methanamine
• Synonyms: 1-(5-cyclopropyl-3-isoxazolyl)methanamine

Database IDs

• CAS Number: 1060817-49-3
• MDL Number: MFCD11053974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.31595
• LogD (pH = 7.4): -0.6312419
• Log P: 0.16836219
• Molar Refractivity: 37.7943 cm^3
• Polarizability: 14.402823 Å^3
• Polar Surface Area: 52.05 Å^2