4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-1,3-oxazole

• ChemBase ID: 678607
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: c1(C(=O)N2C(c3cc(OC)ccc3)CCC2)nc(oc1C)C
• Canonical SMILES: COc1cccc(c1)C1CCCN1C(=O)c1nc(oc1C)C
• InChI: InChI=1S/C17H20N2O3/c1-11-16(18-12(2)22-11)17(20)19-9-5-8-15(19)13-6-4-7-14(10-13)21-3/h4,6-7,10,15H,5,8-9H2,1-3H3
• InChIKey: DHNFWHWVQMEJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-1,3-oxazole
• IUPAC Traditional name: 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-1,3-oxazole
• Synonyms: 4-{[2-(3-methoxyphenyl)-1-pyrrolidinyl]carbonyl}-2,5-dimethyl-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9539722
• LogD (pH = 7.4): 1.9539723
• Log P: 1.9539723
• Molar Refractivity: 83.1446 cm^3
• Polarizability: 31.44281 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.4
• LOG S: -1.73
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3