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

C12H11F3N2O3S2 — CID 2823119

IUPAC3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCC1
InChIInChI=1S/C12H11F3N2O3S2/c13-12(14,15)10-7-8(16-20-10)9-3-4-11(21-9)22(18,19)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2
InChIKeyZBCTXMYSPXEDKT-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.21
Rot. Bonds3

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

3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 2823119) has the molecular formula C12H11F3N2O3S2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
PubChem CID2823119
Molecular FormulaC12H11F3N2O3S2
Molecular Weight352.36 g/mol
Exact Mass352.02
IUPAC Name3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCC1
InChIInChI=1S/C12H11F3N2O3S2/c13-12(14,15)10-7-8(16-20-10)9-3-4-11(21-9)22(18,19)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2
InChIKeyZBCTXMYSPXEDKT-UHFFFAOYSA-N
XLogP3.21
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Isoxazol-5-ylthiophene-2-sulfonyl)pyrrolidine
CID 2739875
4-(5-Isoxazol-5-ylthiophene-2-sulfonyl)morpholine
CID 2739876
3-Methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
CID 20936285
3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole
CID 736194
1-Phenyl-4-({5-[3-(trifluoromethyl)isoxazol-5-yl]thien-2-yl}sulfonyl)piperazine
CID 2823120
N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
1-(4-Fluorophenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine
CID 16025246
3-Methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936239
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025221
N,N-Dimethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
CID 542127
Methyl 3-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonyl-1,3-thiazolidine-2-carboxylate
CID 2742796
1-Methyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 2742815

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole (CID 2823119) is 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCC1.
What is the InChIKey of 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is ZBCTXMYSPXEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S2/c13-12(14,15)10-7-8(16-20-10)9-3-4-11(21-9)22(18,19)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2.
What are the key properties of 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 352.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 2823119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).