3-(2-methylcyclopropyl)-1,2-oxazol-5-amine

• ChemBase ID: 264286
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: C1(c2cc(on2)N)CC1C
• Canonical SMILES: CC1CC1c1cc(on1)N
• InChI: InChI=1S/C7H10N2O/c1-4-2-5(4)6-3-7(8)10-9-6/h3-5H,2,8H2,1H3
• InChIKey: ZFDIECFNLBZADX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylcyclopropyl)-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-(2-methylcyclopropyl)-1,2-oxazol-5-amine
• Synonyms: 3-(2-methylcyclopropyl)-1,2-oxazol-5-amine

Database IDs

• MDL Number: MFCD10693484
• PubChem SID: 164320196
• PubChem CID: 43115681

CALCULATED PROPERTIES

• Acid pKa: 15.984619
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7958452
• LogD (pH = 7.4): 0.7963355
• Log P: 0.7963418
• Molar Refractivity: 37.993 cm^3
• Polarizability: 14.026539 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 1.001

Product Information

• Purity: 95%