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

• ChemBase ID: 243782
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1(c(onc1C)C)C(N)CC
• Canonical SMILES: CCC(c1c(C)noc1C)N
• InChI: InChI=1S/C8H14N2O/c1-4-7(9)8-5(2)10-11-6(8)3/h7H,4,9H2,1-3H3
• InChIKey: YFFYOGPQXYFJPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22628375
• PubChem SID: 164299692
• PubChem CID: 71757345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.108744
• LogD (pH = 7.4): -0.6647644
• Log P: 0.7335886
• Molar Refractivity: 44.6574 cm^3
• Polarizability: 16.88323 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.349

Product Information

• Purity: 95%