5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

C16H21BrN4O3S — CID 18167609

IUPAC5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1
InChIInChI=1S/C16H21BrN4O3S/c1-2-4-15-18-16(24-19-15)12-20-7-9-21(10-8-20)25(22,23)14-6-3-5-13(17)11-14/h3,5-6,11H,2,4,7-10,12H2,1H3
InChIKeyGBLYOYBFRLAKPE-UHFFFAOYSA-N
MW429.34 g/mol
LogP2.29
Rot. Bonds6

About 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 18167609) has the molecular formula C16H21BrN4O3S and a molecular weight of 429.34 g/mol. Its IUPAC name is 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID18167609
Molecular FormulaC16H21BrN4O3S
Molecular Weight429.34 g/mol
Exact Mass428.05
IUPAC Name5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1
InChIInChI=1S/C16H21BrN4O3S/c1-2-4-15-18-16(24-19-15)12-20-7-9-21(10-8-20)25(22,23)14-6-3-5-13(17)11-14/h3,5-6,11H,2,4,7-10,12H2,1H3
InChIKeyGBLYOYBFRLAKPE-UHFFFAOYSA-N
XLogP2.29
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18167572
5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167576
5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 18155952
1-(3-bromophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 29352331
3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86919559
3-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901886
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 32873847
3-propan-2-yl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55525035
5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 30669379
2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 43013082
N-benzyl-3-[3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
CID 46278404
3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 60570904

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (CID 18167609) is 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1.
What is the InChIKey of 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is GBLYOYBFRLAKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O3S/c1-2-4-15-18-16(24-19-15)12-20-7-9-21(10-8-20)25(22,23)14-6-3-5-13(17)11-14/h3,5-6,11H,2,4,7-10,12H2,1H3.
What are the key properties of 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 429.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 18167609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).