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

C17H23FN4O3S — CID 110395948

IUPAC2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)ccc1F
InChIInChI=1S/C17H23FN4O3S/c1-12(2)17-20-19-16(25-17)11-21-6-8-22(9-7-21)26(23,24)14-4-5-15(18)13(3)10-14/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyFZCMTRPAFPPORU-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.15
Rot. Bonds5

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

2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 110395948) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID110395948
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC Name2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)ccc1F
InChIInChI=1S/C17H23FN4O3S/c1-12(2)17-20-19-16(25-17)11-21-6-8-22(9-7-21)26(23,24)14-4-5-15(18)13(3)10-14/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyFZCMTRPAFPPORU-UHFFFAOYSA-N
XLogP2.15
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395949
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395943
2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110395954
2-methyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8692277
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78787636
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 113073853
2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395798
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396613
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine
CID 95635970
2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 56787377

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 110395948) is 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is Cc1cc(S(=O)(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)ccc1F.
What is the InChIKey of 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is FZCMTRPAFPPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-12(2)17-20-19-16(25-17)11-21-6-8-22(9-7-21)26(23,24)14-4-5-15(18)13(3)10-14/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 382.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110395948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).