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

C14H17ClN4O3S — CID 133358884

IUPAC4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C14H17ClN4O3S/c1-10-14(11(2)22-17-10)23(20,21)19-7-5-18(6-8-19)13-3-4-16-9-12(13)15/h3-4,9H,5-8H2,1-2H3
InChIKeyBPILAGPXOPPMFN-UHFFFAOYSA-N
MW356.84 g/mol
LogP1.85
Rot. Bonds3

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

4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 133358884) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID133358884
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C14H17ClN4O3S/c1-10-14(11(2)22-17-10)23(20,21)19-7-5-18(6-8-19)13-3-4-16-9-12(13)15/h3-4,9H,5-8H2,1-2H3
InChIKeyBPILAGPXOPPMFN-UHFFFAOYSA-N
XLogP1.85
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 121017885
3,5-dimethyl-4-[4-(2,3,4-trifluorophenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113081207
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
3,5-dimethyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053065
3,5-dimethyl-4-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053093
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
3,5-dimethyl-4-[[4-(4-methylphenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 75461716
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 136512660

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 133358884) is 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is BPILAGPXOPPMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-10-14(11(2)22-17-10)23(20,21)19-7-5-18(6-8-19)13-3-4-16-9-12(13)15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 356.84 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 133358884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).