5-cyclopropyl-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1,3-oxazole

• ChemBase ID: 795523
• Molecular Formular: C18H20N2O3
• Molecular Mass: 312.363
• Monoisotopic Mass: 312.14739251
• SMILES: c1(C(=O)N2CC(C2)Oc2c(CC)cccc2)c(C2CC2)ocn1
• Canonical SMILES: CCc1ccccc1OC1CN(C1)C(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C18H20N2O3/c1-2-12-5-3-4-6-15(12)23-14-9-20(10-14)18(21)16-17(13-7-8-13)22-11-19-16/h3-6,11,13-14H,2,7-10H2,1H3
• InChIKey: AGIONKXOUHOQKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1,3-oxazole
• IUPAC Traditional name: 5-cyclopropyl-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1,3-oxazole
• Synonyms: 5-cyclopropyl-4-{[3-(2-ethylphenoxy)-1-azetidinyl]carbonyl}-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7125924
• LogD (pH = 7.4): 2.7125924
• Log P: 2.7125924
• Molar Refractivity: 85.5059 cm^3
• Polarizability: 32.561394 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.67
• LOG S: -2.9
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5