2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C14H17ClN4O3S — CID 27128804

IUPAC2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C14H17ClN4O3S/c1-23(20,21)19-8-6-18(7-9-19)10-13-16-17-14(22-13)11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyZASNDVXEBIIUGC-UHFFFAOYSA-N
MW356.84 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 27128804) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID27128804
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C14H17ClN4O3S/c1-23(20,21)19-8-6-18(7-9-19)10-13-16-17-14(22-13)11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyZASNDVXEBIIUGC-UHFFFAOYSA-N
XLogP1.47
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 27128804) is 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CS(=O)(=O)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZASNDVXEBIIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-23(20,21)19-8-6-18(7-9-19)10-13-16-17-14(22-13)11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 356.84 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 27128804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).