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

• ChemBase ID: 859417
• Molecular Formular: C16H15ClN2O3
• Molecular Mass: 318.7549
• Monoisotopic Mass: 318.07712003
• SMILES: c1(C(=O)N2CC(C2)Oc2c(Cl)cccc2)c(C2CC2)ocn1
• Canonical SMILES: Clc1ccccc1OC1CN(C1)C(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C16H15ClN2O3/c17-12-3-1-2-4-13(12)22-11-7-19(8-11)16(20)14-15(10-5-6-10)21-9-18-14/h1-4,9-11H,5-8H2
• InChIKey: IFYIBQQFDIIMMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3586469
• LogD (pH = 7.4): 2.358647
• Log P: 2.358647
• Molar Refractivity: 80.6685 cm^3
• Polarizability: 30.903687 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.22
• LOG S: -2.57
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4