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

C16H20ClN3O3S — CID 20851639

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C16H20ClN3O3S/c1-11-4-5-14(17)10-15(11)19-6-8-20(9-7-19)24(21,22)16-12(2)18-23-13(16)3/h4-5,10H,6-9H2,1-3H3
InChIKeySANWQYCGUFVOQT-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.76
Rot. Bonds3

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

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 20851639) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID20851639
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C16H20ClN3O3S/c1-11-4-5-14(17)10-15(11)19-6-8-20(9-7-19)24(21,22)16-12(2)18-23-13(16)3/h4-5,10H,6-9H2,1-3H3
InChIKeySANWQYCGUFVOQT-UHFFFAOYSA-N
XLogP2.76
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
3,5-dimethyl-4-[4-(2,3,4-trifluorophenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113081207
4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 133358884
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 18119578
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole
CID 46292522
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 112798679
3,5-dimethyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053065
4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 110714201

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 20851639) is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is SANWQYCGUFVOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-11-4-5-14(17)10-15(11)19-6-8-20(9-7-19)24(21,22)16-12(2)18-23-13(16)3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 369.87 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 20851639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).