5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole

C24H28ClN3O4S — CID 20935548

IUPAC5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O4S/c1-17-4-5-20(24-18(2)19(3)26-32-24)16-23(17)33(29,30)28-12-10-27(11-13-28)14-15-31-22-8-6-21(25)7-9-22/h4-9,16H,10-15H2,1-3H3
InChIKeyYMVRBYOIFVHBQO-UHFFFAOYSA-N
MW490.03 g/mol
LogP4.31
Rot. Bonds7

About 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole

5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole (PubChem CID 20935548) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole
PubChem CID20935548
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC Name5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O4S/c1-17-4-5-20(24-18(2)19(3)26-32-24)16-23(17)33(29,30)28-12-10-27(11-13-28)14-15-31-22-8-6-21(25)7-9-22/h4-9,16H,10-15H2,1-3H3
InChIKeyYMVRBYOIFVHBQO-UHFFFAOYSA-N
XLogP4.31
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 20935529
1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 110638181
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
1-[2-(4-chlorophenoxy)ethyl]-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 53138871
4-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17479583
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 112798679
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627407
4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
CID 118121112
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 8804090

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole (CID 20935548) is 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole?
The InChIKey is YMVRBYOIFVHBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-17-4-5-20(24-18(2)19(3)26-32-24)16-23(17)33(29,30)28-12-10-27(11-13-28)14-15-31-22-8-6-21(25)7-9-22/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole?
5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole has a molecular weight of 490.03 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 20935548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).