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2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(2-phenylethyl)acetamide

2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(2-phenylethyl)acetamide

CAS: 901751-47-1

Formula: C23H26N2O2S

SMILES: CCC1=CC=C(C=C1)C1=NC(CSCC(=O)NCCC2=CC=CC=C2)=C(C)O1

IUPAC: 2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(2-phenylethyl)acetamide

InChI: InChI=1S/C23H26N2O2S/c1-3-18-9-11-20(12-10-18)23-25-21(17(2)27-23)15-28-16-22(26)24-14-13-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,24,26)

Composition: C (70.02%), H (6.64%), N (7.10%), O (8.11%), S (8.13%)

Molar Mass: 394.53

Atom Count: 54

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 394.171499259
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QTDYVSIBWGVBKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.05
Topological Polar Surface Area 55.13
Polarizability 45.04
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime CAS UnitPrice
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98% <4 Days 901751-47-1 $38.22-$529.73$38.22$55.04$89.43$167.40$309.58$529.73
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