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

• ChemBase ID: 242248
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: n1oc(c(c1C)C(CN)C)C
• Canonical SMILES: NCC(c1c(C)noc1C)C
• InChI: InChI=1S/C8H14N2O/c1-5(4-9)8-6(2)10-11-7(8)3/h5H,4,9H2,1-3H3
• InChIKey: LEVUYGBVOMFQGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08701359
• PubChem SID: 164298158
• PubChem CID: 23006350

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5465531
• LogD (pH = 7.4): -1.665317
• Log P: 0.44812518
• Molar Refractivity: 44.9412 cm^3
• Polarizability: 16.808802 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.019

Product Information

• Purity: 95%