[5-(propan-2-yl)-1,3-oxazol-2-yl]methanamine

• ChemBase ID: 276121
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: n1cc(oc1CN)C(C)C
• Canonical SMILES: NCc1ncc(o1)C(C)C
• InChI: InChI=1S/C7H12N2O/c1-5(2)6-4-9-7(3-8)10-6/h4-5H,3,8H2,1-2H3
• InChIKey: PSQPSAHNRDTZON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(propan-2-yl)-1,3-oxazol-2-yl]methanamine
• IUPAC Traditional name: (5-isopropyl-1,3-oxazol-2-yl)methanamine
• Synonyms: [5-(propan-2-yl)-1,3-oxazol-2-yl]methanamine

Database IDs

• MDL Number: MFCD19215741
• PubChem SID: 164332031
• PubChem CID: 54594018

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6283532
• LogD (pH = 7.4): -0.07576274
• Log P: 0.20112863
• Molar Refractivity: 38.7131 cm^3
• Polarizability: 15.121788 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.03

Product Information

• Purity: 95%