(2-chloro-4-methyl-1,3-oxazol-5-yl)methanamine

• ChemBase ID: 801443
• Molecular Formular: C5H7ClN2O
• Molecular Mass: 146.57488
• Monoisotopic Mass: 146.02469053
• SMILES: NCc1oc(nc1C)Cl
• Canonical SMILES: NCc1oc(nc1C)Cl
• InChI: InChI=1S/C5H7ClN2O/c1-3-4(2-7)9-5(6)8-3/h2,7H2,1H3
• InChIKey: RFNCRSKLBOMXGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-4-methyl-1,3-oxazol-5-yl)methanamine
• IUPAC Traditional name: (2-chloro-4-methyl-1,3-oxazol-5-yl)methanamine
• Synonyms: (2-CHLORO-4-METHYL-1,3-OXAZOL-5-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2389808
• LogD (pH = 7.4): -0.55263656
• Log P: 0.0062912577
• Molar Refractivity: 34.7357 cm^3
• Polarizability: 13.532942 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%