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

C15H18ClN3O3S — CID 120776934

IUPAC5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)N2CCNCC2c2cccc(Cl)c2)on1
InChIInChI=1S/C15H18ClN3O3S/c1-11-7-14(22-18-11)10-23(20,21)19-6-5-17-9-15(19)12-3-2-4-13(16)8-12/h2-4,7-8,15,17H,5-6,9-10H2,1H3
InChIKeyCUIDUXGJUPHRPW-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.11
Rot. Bonds4

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

5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole (PubChem CID 120776934) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
PubChem CID120776934
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)N2CCNCC2c2cccc(Cl)c2)on1
InChIInChI=1S/C15H18ClN3O3S/c1-11-7-14(22-18-11)10-23(20,21)19-6-5-17-9-15(19)12-3-2-4-13(16)8-12/h2-4,7-8,15,17H,5-6,9-10H2,1H3
InChIKeyCUIDUXGJUPHRPW-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-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
CID 120765197
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate
CID 120776778
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
CID 120776834

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole (CID 120776934) is 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole is Cc1cc(CS(=O)(=O)N2CCNCC2c2cccc(Cl)c2)on1.
What is the InChIKey of 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is CUIDUXGJUPHRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-11-7-14(22-18-11)10-23(20,21)19-6-5-17-9-15(19)12-3-2-4-13(16)8-12/h2-4,7-8,15,17H,5-6,9-10H2,1H3.
What are the key properties of 5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole?
5-[[2-(3-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-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 120776934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).