4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

C20H20N4O5S — CID 146069964

IUPAC4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCNC(=O)C2Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H20N4O5S/c1-28-15-8-5-9-16(12-15)30(26,27)24-11-10-21-20(25)17(24)13-18-22-19(23-29-18)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)
InChIKeyWXXZBXPKHYKHCM-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.48
Rot. Bonds6

About 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 146069964) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID146069964
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCNC(=O)C2Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H20N4O5S/c1-28-15-8-5-9-16(12-15)30(26,27)24-11-10-21-20(25)17(24)13-18-22-19(23-29-18)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)
InChIKeyWXXZBXPKHYKHCM-UHFFFAOYSA-N
XLogP1.48
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzenesulfonyl)-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069911
4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069923
(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one
CID 92613300
2-(3-methoxyphenyl)sulfonyl-13-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 156611867
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 133167913
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 100647219
(3R)-1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100662947
4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069950
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 119102477
3-[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129417378
(4-fluorophenyl)-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91906465

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 146069964) is 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is COc1cccc(S(=O)(=O)N2CCNC(=O)C2Cc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is WXXZBXPKHYKHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-28-15-8-5-9-16(12-15)30(26,27)24-11-10-21-20(25)17(24)13-18-22-19(23-29-18)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,21,25).
What are the key properties of 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 428.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 146069964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).