[1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone

C22H28ClN3O4S — CID 134047892

IUPAC[1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C22H28ClN3O4S/c1-16-20(17(2)30-24-16)31(28,29)26-13-11-25(12-14-26)21(27)22(9-4-3-5-10-22)18-7-6-8-19(23)15-18/h6-8,15H,3-5,9-14H2,1-2H3
InChIKeyLLAMFSUEHSVXHK-UHFFFAOYSA-N
MW466.00 g/mol
LogP3.68
Rot. Bonds4

About [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone

[1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone (PubChem CID 134047892) has the molecular formula C22H28ClN3O4S and a molecular weight of 466.00 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
PubChem CID134047892
Molecular FormulaC22H28ClN3O4S
Molecular Weight466.00 g/mol
Exact Mass465.15
IUPAC Name[1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C22H28ClN3O4S/c1-16-20(17(2)30-24-16)31(28,29)26-13-11-25(12-14-26)21(27)22(9-4-3-5-10-22)18-7-6-8-19(23)15-18/h6-8,15H,3-5,9-14H2,1-2H3
InChIKeyLLAMFSUEHSVXHK-UHFFFAOYSA-N
XLogP3.68
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.00
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxamide
CID 41429999
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108569871
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319
2-(4-chlorophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 27733634
(3-aminophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride
CID 119694725
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 9150987

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone (CID 134047892) is [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The InChIKey is LLAMFSUEHSVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4S/c1-16-20(17(2)30-24-16)31(28,29)26-13-11-25(12-14-26)21(27)22(9-4-3-5-10-22)18-7-6-8-19(23)15-18/h6-8,15H,3-5,9-14H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
[1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone has a molecular weight of 466.00 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclohexyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134047892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).