5-{[4-(3-ethylmorpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy}-2-methyl-1,3-benzothiazole

• ChemBase ID: 480714
• Molecular Formular: C19H21N3O4S
• Molecular Mass: 387.45274
• Monoisotopic Mass: 387.12527717
• SMILES: c1(C(=O)N2C(COCC2)CC)nc(oc1)COc1cc2nc(sc2cc1)C
• Canonical SMILES: CCC1COCCN1C(=O)c1coc(n1)COc1ccc2c(c1)nc(s2)C
• InChI: InChI=1S/C19H21N3O4S/c1-3-13-9-24-7-6-22(13)19(23)16-10-26-18(21-16)11-25-14-4-5-17-15(8-14)20-12(2)27-17/h4-5,8,10,13H,3,6-7,9,11H2,1-2H3
• InChIKey: YISSNNAQLNZBGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[4-(3-ethylmorpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy}-2-methyl-1,3-benzothiazole
• IUPAC Traditional name: 5-{[4-(3-ethylmorpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy}-2-methyl-1,3-benzothiazole
• Synonyms: 5-({4-[(3-ethylmorpholin-4-yl)carbonyl]-1,3-oxazol-2-yl}methoxy)-2-methyl-1,3-benzothiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.219667
• LogD (pH = 7.4): 2.222796
• Log P: 2.222836
• Molar Refractivity: 99.1987 cm^3
• Polarizability: 39.362385 Å^3
• Polar Surface Area: 77.69 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: 0.3
• LOG S: -3.59
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5