[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol

C14H18N4O5S — CID 118384872

IUPAC[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(CO)no3)CC2)cc1
InChIInChI=1S/C14H18N4O5S/c1-22-11-2-4-12(5-3-11)24(20,21)18-8-6-17(7-9-18)14-15-13(10-19)16-23-14/h2-5,19H,6-10H2,1H3
InChIKeyWYODZDAMGSFEBR-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.08
Rot. Bonds5

About [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol

[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 118384872) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
PubChem CID118384872
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC Name[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(CO)no3)CC2)cc1
InChIInChI=1S/C14H18N4O5S/c1-22-11-2-4-12(5-3-11)24(20,21)18-8-6-17(7-9-18)14-15-13(10-19)16-23-14/h2-5,19H,6-10H2,1H3
InChIKeyWYODZDAMGSFEBR-UHFFFAOYSA-N
XLogP0.08
TPSA109.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(chloromethyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385233
3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385016
ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate
CID 126664164
3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384865
3-(cyclopropylmethyl)-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385082
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
3-[(3-fluorophenyl)methyl]-5-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384861
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384897
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol (CID 118384872) is [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol is COc1ccc(S(=O)(=O)N2CCN(c3nc(CO)no3)CC2)cc1.
What is the InChIKey of [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is WYODZDAMGSFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-22-11-2-4-12(5-3-11)24(20,21)18-8-6-17(7-9-18)14-15-13(10-19)16-23-14/h2-5,19H,6-10H2,1H3.
What are the key properties of [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol?
[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 354.39 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 118384872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).