5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

C14H19N3O3S2 — CID 26424144

IUPAC5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)no1
InChIInChI=1S/C14H19N3O3S2/c1-11-9-13(15-20-11)10-16-5-7-17(8-6-16)22(18,19)14-4-3-12(2)21-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeySWJTWTWVHWSJPU-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.86
Rot. Bonds4

About 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 26424144) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
PubChem CID26424144
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)no1
InChIInChI=1S/C14H19N3O3S2/c1-11-9-13(15-20-11)10-16-5-7-17(8-6-16)22(18,19)14-4-3-12(2)21-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeySWJTWTWVHWSJPU-UHFFFAOYSA-N
XLogP1.86
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 110399236
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27639550
5-methyl-3-[[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 8841146
5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 47038783
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27635164
5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110646443
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 55412972
5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 110646440
4-[[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110646657
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (CID 26424144) is 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is SWJTWTWVHWSJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-11-9-13(15-20-11)10-16-5-7-17(8-6-16)22(18,19)14-4-3-12(2)21-14/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 341.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 26424144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).