3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole

C14H15F3N2O3S2 — CID 50840250

IUPAC3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H15F3N2O3S2/c1-9-12(24(20,21)19-5-3-2-4-6-19)8-11(23-9)10-7-13(22-18-10)14(15,16)17/h7-8H,2-6H2,1H3
InChIKeyHGGFYSJAPNZDLF-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.90
Rot. Bonds3

About 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole

3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 50840250) has the molecular formula C14H15F3N2O3S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
PubChem CID50840250
Molecular FormulaC14H15F3N2O3S2
Molecular Weight380.41 g/mol
Exact Mass380.05
IUPAC Name3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H15F3N2O3S2/c1-9-12(24(20,21)19-5-3-2-4-6-19)8-11(23-9)10-7-13(22-18-10)14(15,16)17/h7-8H,2-6H2,1H3
InChIKeyHGGFYSJAPNZDLF-UHFFFAOYSA-N
XLogP3.90
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine
CID 50840251
3-[5-methyl-4-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840234
1-[4-[4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
CID 46396367
3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 7222334
2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840224
5-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822010
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840169
3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 46396326
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6502778
N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide
CID 126832319
[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53042022

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole (CID 50840250) is 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole is Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is HGGFYSJAPNZDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S2/c1-9-12(24(20,21)19-5-3-2-4-6-19)8-11(23-9)10-7-13(22-18-10)14(15,16)17/h7-8H,2-6H2,1H3.
What are the key properties of 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 380.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 50840250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).