2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C18H12ClF4N3O3S — CID 166109367

IUPAC2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESO=C(COc1ccc(F)cc1Cl)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C18H12ClF4N3O3S/c19-11-6-10(20)1-2-12(11)28-8-15(27)26-4-3-13-9(7-26)5-14(30-13)16-24-17(29-25-16)18(21,22)23/h1-2,5-6H,3-4,7-8H2
InChIKeyPEKHHLWJNVHQSB-UHFFFAOYSA-N
MW461.82 g/mol
LogP4.57
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 166109367) has the molecular formula C18H12ClF4N3O3S and a molecular weight of 461.82 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID166109367
Molecular FormulaC18H12ClF4N3O3S
Molecular Weight461.82 g/mol
Exact Mass461.02
IUPAC Name2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESO=C(COc1ccc(F)cc1Cl)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C18H12ClF4N3O3S/c19-11-6-10(20)1-2-12(11)28-8-15(27)26-4-3-13-9(7-26)5-14(30-13)16-24-17(29-25-16)18(21,22)23/h1-2,5-6H,3-4,7-8H2
InChIKeyPEKHHLWJNVHQSB-UHFFFAOYSA-N
XLogP4.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.82
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

2-(4-Chlorophenoxy)-2-methyl-1-(3-((3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)propan-1-one
CID 76151935
2-(4-chlorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109217
(3-chloro-4-methoxyphenyl)-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 166109261
2-(2-chlorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109270
(4-fluorophenyl) 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 166109279
2-(3-methoxyphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109288
2-(3-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109292
2-(2-methylphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109313
2-(4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109315
2-(4-chloro-2-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109334
2-(4-fluoro-2-methylphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109362
2-phenoxy-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 166109371

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 166109367) is 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is O=C(COc1ccc(F)cc1Cl)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is PEKHHLWJNVHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O3S/c19-11-6-10(20)1-2-12(11)28-8-15(27)26-4-3-13-9(7-26)5-14(30-13)16-24-17(29-25-16)18(21,22)23/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 461.82 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 166109367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).