(dimethyl-1,3-oxazol-2-yl)methanamine

• ChemBase ID: 262141
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1c(c(oc1CN)C)C
• Canonical SMILES: NCc1oc(c(n1)C)C
• InChI: InChI=1S/C6H10N2O/c1-4-5(2)9-6(3-7)8-4/h3,7H2,1-2H3
• InChIKey: CXHCESKWMDAIJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethyl-1,3-oxazol-2-yl)methanamine
• IUPAC Traditional name: (dimethyl-1,3-oxazol-2-yl)methanamine
• Synonyms: (4,5-dimethyl-1,3-oxazol-2-yl)methanamine

Database IDs

• MDL Number: MFCD11590626
• PubChem SID: 164318051
• PubChem CID: 28293489

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.393846
• LogD (pH = 7.4): -0.8366931
• Log P: -0.55499643
• Molar Refractivity: 34.309 cm^3
• Polarizability: 13.211616 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.739

Product Information

• Purity: 95%