2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole

C19H19N3O3S2 — CID 53098100

IUPAC2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCSCC4)c3)o2)cc1
InChIInChI=1S/C19H19N3O3S2/c1-14-5-7-15(8-6-14)18-20-21-19(25-18)16-3-2-4-17(13-16)27(23,24)22-9-11-26-12-10-22/h2-8,13H,9-12H2,1H3
InChIKeyFZZBHFLZFBYKBU-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole

2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole (PubChem CID 53098100) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole
PubChem CID53098100
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCSCC4)c3)o2)cc1
InChIInChI=1S/C19H19N3O3S2/c1-14-5-7-15(8-6-14)18-20-21-19(25-18)16-3-2-4-17(13-16)27(23,24)22-9-11-26-12-10-22/h2-8,13H,9-12H2,1H3
InChIKeyFZZBHFLZFBYKBU-UHFFFAOYSA-N
XLogP3.45
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 53098190
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 53098039
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760
2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 8743178
4-[3-[5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
CID 40919693
2-phenyl-5-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2079865
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8688135
2-(2-ethoxyethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 9406828
4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 45352246

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole (CID 53098100) is 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCSCC4)c3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole?
The InChIKey is FZZBHFLZFBYKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-14-5-7-15(8-6-14)18-20-21-19(25-18)16-3-2-4-17(13-16)27(23,24)22-9-11-26-12-10-22/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole has a molecular weight of 401.51 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53098100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).