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N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Formula: C21H18N4O4S

SMILES: COC1=CC=C(C=C1OC)C1=NN=C(NC(=O)C2=C(C)ON=C2C2=CC=CC=C2)S1

IUPAC: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

InChI: InChI=1S/C21H18N4O4S/c1-12-17(18(25-29-12)13-7-5-4-6-8-13)19(26)22-21-24-23-20(30-21)14-9-10-15(27-2)16(11-14)28-3/h4-11H,1-3H3,(H,22,24,26)

Composition: C (59.71%), H (4.29%), N (13.26%), O (15.15%), S (7.59%)

Molar Mass: 422.46

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 422.10487625
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey UMIMTEVWQNVRRU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.78
Topological Polar Surface Area 99.37
Polarizability 43.9
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H18N4O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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