1-(dimethyl-1,2-oxazol-4-yl)propan-2-amine

• ChemBase ID: 277481
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1(c(onc1C)C)CC(N)C
• Canonical SMILES: CC(Cc1c(C)noc1C)N
• InChI: InChI=1S/C8H14N2O/c1-5(9)4-8-6(2)10-11-7(8)3/h5H,4,9H2,1-3H3
• InChIKey: UDUQYWBETJDXSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08453269
• PubChem SID: 164333391
• PubChem CID: 23006349

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.508711
• LogD (pH = 7.4): -1.7825373
• Log P: 0.49972737
• Molar Refractivity: 44.8884 cm^3
• Polarizability: 16.809242 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.071

Product Information

• Purity: 95%