3-(4-methyl-1,3-thiazol-5-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide

• ChemBase ID: 583972
• Molecular Formular: C15H16N4O3S
• Molecular Mass: 332.37754
• Monoisotopic Mass: 332.09431139
• SMILES: N(C(=O)CCc1c(ncs1)C)(Cc1ncoc1)Cc1ncoc1
• Canonical SMILES: O=C(N(Cc1cocn1)Cc1cocn1)CCc1scnc1C
• InChI: InChI=1S/C15H16N4O3S/c1-11-14(23-10-18-11)2-3-15(20)19(4-12-6-21-8-16-12)5-13-7-22-9-17-13/h6-10H,2-5H2,1H3
• InChIKey: FBENPGUCXSFXIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methyl-1,3-thiazol-5-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide
• IUPAC Traditional name: 3-(4-methyl-1,3-thiazol-5-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide
• Synonyms: 3-(4-methyl-1,3-thiazol-5-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.11391213
• LogD (pH = 7.4): 0.11424322
• Log P: 0.11424744
• Molar Refractivity: 82.9198 cm^3
• Polarizability: 31.555088 Å^3
• Polar Surface Area: 85.26 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: -0.53
• LOG S: -2.48
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 7