N-[1-(methoxymethyl)cyclopropyl]-N-methyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-1,3-oxazole-4-carboxamide

• ChemBase ID: 494896
• Molecular Formular: C19H21N3O4S
• Molecular Mass: 387.45274
• Monoisotopic Mass: 387.12527717
• SMILES: c1(C(=O)N(C2(CC2)COC)C)nc(oc1)COc1cc2nc(sc2cc1)C
• Canonical SMILES: COCC1(CC1)N(C(=O)c1coc(n1)COc1ccc2c(c1)nc(s2)C)C
• InChI: InChI=1S/C19H21N3O4S/c1-12-20-14-8-13(4-5-16(14)27-12)25-10-17-21-15(9-26-17)18(23)22(2)19(6-7-19)11-24-3/h4-5,8-9H,6-7,10-11H2,1-3H3
• InChIKey: IXUBFUXDXJMKNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopropyl]-N-methyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopropyl]-N-methyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-1,3-oxazole-4-carboxamide
• Synonyms: N-[1-(methoxymethyl)cyclopropyl]-N-methyl-2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8414278
• LogD (pH = 7.4): 1.8445566
• Log P: 1.8445966
• Molar Refractivity: 99.3257 cm^3
• Polarizability: 39.362396 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.16
• LOG S: -3.2
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7