5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole

C15H18ClN3O3S — CID 120765197

IUPAC5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)N2CCNCC2c2ccccc2Cl)on1
InChIInChI=1S/C15H18ClN3O3S/c1-11-8-12(22-18-11)10-23(20,21)19-7-6-17-9-15(19)13-4-2-3-5-14(13)16/h2-5,8,15,17H,6-7,9-10H2,1H3
InChIKeyGRSVVXXVEIOLTK-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.11
Rot. Bonds4

About 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole

5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole (PubChem CID 120765197) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
PubChem CID120765197
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)N2CCNCC2c2ccccc2Cl)on1
InChIInChI=1S/C15H18ClN3O3S/c1-11-8-12(22-18-11)10-23(20,21)19-7-6-17-9-15(19)13-4-2-3-5-14(13)16/h2-5,8,15,17H,6-7,9-10H2,1H3
InChIKeyGRSVVXXVEIOLTK-UHFFFAOYSA-N
XLogP2.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
CID 120776934
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
CID 120765122
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
CID 120765276
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole (CID 120765197) is 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole is Cc1cc(CS(=O)(=O)N2CCNCC2c2ccccc2Cl)on1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is GRSVVXXVEIOLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-11-8-12(22-18-11)10-23(20,21)19-7-6-17-9-15(19)13-4-2-3-5-14(13)16/h2-5,8,15,17H,6-7,9-10H2,1H3.
What are the key properties of 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole has a molecular weight of 355.85 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 120765197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).