3-cyclohexyl-4-methyl-1,2-oxazol-5-amine

• ChemBase ID: 239502
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: c1(c(noc1N)C1CCCCC1)C
• Canonical SMILES: Cc1c(noc1N)C1CCCCC1
• InChI: InChI=1S/C10H16N2O/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h8H,2-6,11H2,1H3
• InChIKey: FUUBXBCVVUYQMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-4-methyl-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-cyclohexyl-4-methyl-1,2-oxazol-5-amine
• Synonyms: 3-cyclohexyl-4-methyl-1,2-oxazol-5-amine

Database IDs

• MDL Number: MFCD11209344
• PubChem SID: 164295412
• PubChem CID: 43158311

CALCULATED PROPERTIES

• Acid pKa: 17.239761
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.355844
• LogD (pH = 7.4): 2.3564425
• Log P: 2.35645
• Molar Refractivity: 52.2886 cm^3
• Polarizability: 19.454432 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.328

Product Information

• Purity: 95%