4-methyl-1,2-oxazol-3-amine

• ChemBase ID: 241360
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: c1(c(noc1)N)C
• Canonical SMILES: Cc1conc1N
• InChI: InChI=1S/C4H6N2O/c1-3-2-7-6-4(3)5/h2H,1H3,(H2,5,6)
• InChIKey: IENISVMEYSGVOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,2-oxazol-3-amine
• IUPAC Traditional name: 4-methyl-1,2-oxazol-3-amine
• Synonyms: 4-methyl-1,2-oxazol-3-amine

Database IDs

• MDL Number: MFCD11878419
• PubChem SID: 164297270
• PubChem CID: 13795047

CALCULATED PROPERTIES

• Acid pKa: 17.26856
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.616702
• LogD (pH = 7.4): 0.6167436
• Log P: 0.61674416
• Molar Refractivity: 27.5551 cm^3
• Polarizability: 9.2558975 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.012

Product Information

• Purity: 95%