3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C17H22N4O4S — CID 110396219

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3nnc(C)o3)CC2)c1
InChIInChI=1S/C17H22N4O4S/c1-13-4-3-5-15(12-13)26(23,24)21-10-8-20(9-11-21)17(22)7-6-16-19-18-14(2)25-16/h3-5,12H,6-11H2,1-2H3
InChIKeyMRXVZCFGZIUUEI-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.15
Rot. Bonds5

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 110396219) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID110396219
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3nnc(C)o3)CC2)c1
InChIInChI=1S/C17H22N4O4S/c1-13-4-3-5-15(12-13)26(23,24)21-10-8-20(9-11-21)17(22)7-6-16-19-18-14(2)25-16/h3-5,12H,6-11H2,1-2H3
InChIKeyMRXVZCFGZIUUEI-UHFFFAOYSA-N
XLogP1.15
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110421823
3-(3-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110604614
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41331628
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
CID 110396127
1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797265
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396173
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 136523299
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396174
4-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazine-1-carbaldehyde
CID 110334291
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 110396219) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one is Cc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3nnc(C)o3)CC2)c1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is MRXVZCFGZIUUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-13-4-3-5-15(12-13)26(23,24)21-10-8-20(9-11-21)17(22)7-6-16-19-18-14(2)25-16/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 378.45 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 110396219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).