3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

C19H28N4O3S — CID 18167572

IUPAC3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1
InChIInChI=1S/C19H28N4O3S/c1-5-6-17-20-18(26-21-17)13-22-7-9-23(10-8-22)27(24,25)19-15(3)11-14(2)12-16(19)4/h11-12H,5-10,13H2,1-4H3
InChIKeyLCORPQSAWOZAGE-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.45
Rot. Bonds6

About 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 18167572) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID18167572
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1
InChIInChI=1S/C19H28N4O3S/c1-5-6-17-20-18(26-21-17)13-22-7-9-23(10-8-22)27(24,25)19-15(3)11-14(2)12-16(19)4/h11-12H,5-10,13H2,1-4H3
InChIKeyLCORPQSAWOZAGE-UHFFFAOYSA-N
XLogP2.45
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 18167572) is 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is CCCc1noc(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1.
What is the InChIKey of 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is LCORPQSAWOZAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-5-6-17-20-18(26-21-17)13-22-7-9-23(10-8-22)27(24,25)19-15(3)11-14(2)12-16(19)4/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 392.53 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 18167572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).