N,3,5-trimethyl-1,2-oxazol-4-amine

• ChemBase ID: 285080
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: c1(c(onc1C)C)NC
• Canonical SMILES: CNc1c(C)noc1C
• InChI: InChI=1S/C6H10N2O/c1-4-6(7-3)5(2)9-8-4/h7H,1-3H3
• InChIKey: BXVAAFLEKWPQDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,5-trimethyl-1,2-oxazol-4-amine
• IUPAC Traditional name: N,3,5-trimethyl-1,2-oxazol-4-amine
• Synonyms: N,3,5-trimethyl-1,2-oxazol-4-amine

Database IDs

• MDL Number: MFCD09032988
• PubChem SID: 180670611
• PubChem CID: 22273553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1414682
• LogD (pH = 7.4): 0.14150043
• Log P: 0.14150083
• Molar Refractivity: 37.435 cm^3
• Polarizability: 12.836073 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.103

Product Information

• Purity: 95%