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

C13H13F3N2O3S2 — CID 45106725

IUPAC5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCCCC1
InChIInChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-8-9(21-17-11)10-4-5-12(22-10)23(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2
InChIKeyBPMVFMXAWWHKDH-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.60
Rot. Bonds3

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

5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 45106725) has the molecular formula C13H13F3N2O3S2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID45106725
Molecular FormulaC13H13F3N2O3S2
Molecular Weight366.39 g/mol
Exact Mass366.03
IUPAC Name5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCCCC1
InChIInChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-8-9(21-17-11)10-4-5-12(22-10)23(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2
InChIKeyBPMVFMXAWWHKDH-UHFFFAOYSA-N
XLogP3.60
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 7222334
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 45106762
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51048399
5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole
CID 135089894
3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 50840250
ethyl 5-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950073
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide
CID 89238361

Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole (CID 45106725) is 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCCCC1.
What is the InChIKey of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is BPMVFMXAWWHKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-8-9(21-17-11)10-4-5-12(22-10)23(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 366.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 45106725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).