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

C15H18ClN3O4S — CID 163339942

IUPAC5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COC2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C15H18ClN3O4S/c1-11-17-15(23-18-11)10-22-13-5-3-7-19(9-13)24(20,21)14-6-2-4-12(16)8-14/h2,4,6,8,13H,3,5,7,9-10H2,1H3
InChIKeyIXHGAAXFQXQUHH-UHFFFAOYSA-N
MW371.85 g/mol
LogP2.40
Rot. Bonds5

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

5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 163339942) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID163339942
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COC2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C15H18ClN3O4S/c1-11-17-15(23-18-11)10-22-13-5-3-7-19(9-13)24(20,21)14-6-2-4-12(16)8-14/h2,4,6,8,13H,3,5,7,9-10H2,1H3
InChIKeyIXHGAAXFQXQUHH-UHFFFAOYSA-N
XLogP2.40
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 163338577
2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole
CID 119037881
3-(azepan-1-ylsulfonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 31984010
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 42887002
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
CID 46153744
5-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 6557844
4-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257113
5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 3226245
3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224432
3-[3-(3-methoxypiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 102964098

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole (CID 163339942) is 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(COC2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)n1.
What is the InChIKey of 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is IXHGAAXFQXQUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-11-17-15(23-18-11)10-22-13-5-3-7-19(9-13)24(20,21)14-6-2-4-12(16)8-14/h2,4,6,8,13H,3,5,7,9-10H2,1H3.
What are the key properties of 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 371.85 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 163339942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).