5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole

C21H22ClN3O3S — CID 20958802

IUPAC5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)o1
InChIInChI=1S/C21H22ClN3O3S/c1-15-3-6-18(22)13-20(15)24-9-11-25(12-10-24)29(26,27)19-7-4-17(5-8-19)21-14-23-16(2)28-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyKWCNISGBZBTQGN-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.12
Rot. Bonds4

About 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole

5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole (PubChem CID 20958802) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
PubChem CID20958802
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)o1
InChIInChI=1S/C21H22ClN3O3S/c1-15-3-6-18(22)13-20(15)24-9-11-25(12-10-24)29(26,27)19-7-4-17(5-8-19)21-14-23-16(2)28-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyKWCNISGBZBTQGN-UHFFFAOYSA-N
XLogP4.12
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958920
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958962
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole
CID 46292522
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 59563961
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]-2-methyl-1,3-oxazole
CID 20959028
4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine
CID 46283466
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole (CID 20958802) is 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole is Cc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)o1.
What is the InChIKey of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
The InChIKey is KWCNISGBZBTQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-15-3-6-18(22)13-20(15)24-9-11-25(12-10-24)29(26,27)19-7-4-17(5-8-19)21-14-23-16(2)28-21/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole has a molecular weight of 431.95 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 20958802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).