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5-[(benzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole

5-[(benzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole

CAS: 106808-16-6

Formula: C17H15NO4S

SMILES: COC1=CC=C(C=C1)C1=NOC(CS(=O)(=O)C2=CC=CC=C2)=C1

IUPAC: 5-[(benzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole

InChI: InChI=1S/C17H15NO4S/c1-21-14-9-7-13(8-10-14)17-11-15(22-18-17)12-23(19,20)16-5-3-2-4-6-16/h2-11H,12H2,1H3

Composition: C (61.99%), H (4.59%), N (4.25%), O (19.43%), S (9.73%)

Molar Mass: 329.37

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 329.072179141
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey BHOBHEHYQRSRNT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.72
Topological Polar Surface Area 69.4
Polarizability 35.34
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 106808-16-6 $51.35-$86.31$51.35$63.37$86.31
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