2-(2-methoxyethyl)-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1,3-benzoxazole

• ChemBase ID: 374194
• Molecular Formular: C21H27N3O5
• Molecular Mass: 401.45618
• Monoisotopic Mass: 401.19507098
• SMILES: N1(C(=O)c2cc3oc(nc3cc2)CCOC)CC(C(=O)N2CCOCC2)CCC1
• Canonical SMILES: COCCc1nc2c(o1)cc(cc2)C(=O)N1CCCC(C1)C(=O)N1CCOCC1
• InChI: InChI=1S/C21H27N3O5/c1-27-10-6-19-22-17-5-4-15(13-18(17)29-19)20(25)24-7-2-3-16(14-24)21(26)23-8-11-28-12-9-23/h4-5,13,16H,2-3,6-12,14H2,1H3
• InChIKey: SXCZBHSIFNWTMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1,3-benzoxazole
• IUPAC Traditional name: 2-(2-methoxyethyl)-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1,3-benzoxazole
• Synonyms: 2-(2-methoxyethyl)-6-{[3-(4-morpholinylcarbonyl)-1-piperidinyl]carbonyl}-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.45473775
• LogD (pH = 7.4): 0.45474088
• Log P: 0.45474094
• Molar Refractivity: 106.1064 cm^3
• Polarizability: 41.692307 Å^3
• Polar Surface Area: 85.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.25
• LOG S: -1.39
• Polar Surface Area: 85.11 Å^2
• Rotatable Bonds: 4