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

C19H16F3N3O4S — CID 166109288

IUPAC2-(3-methoxyphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)c1
InChIInChI=1S/C19H16F3N3O4S/c1-27-12-3-2-4-13(8-12)28-10-16(26)25-6-5-14-11(9-25)7-15(30-14)17-23-18(29-24-17)19(20,21)22/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyZZLBEHPTWDBGJH-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.79
Rot. Bonds5

About 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

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 (PubChem CID 166109288) has the molecular formula C19H16F3N3O4S and a molecular weight of 439.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID166109288
Molecular FormulaC19H16F3N3O4S
Molecular Weight439.42 g/mol
Exact Mass439.08
IUPAC Name2-(3-methoxyphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)c1
InChIInChI=1S/C19H16F3N3O4S/c1-27-12-3-2-4-13(8-12)28-10-16(26)25-6-5-14-11(9-25)7-15(30-14)17-23-18(29-24-17)19(20,21)22/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyZZLBEHPTWDBGJH-UHFFFAOYSA-N
XLogP3.79
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(OCC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)c1.
What is the InChIKey of 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?
The InChIKey is ZZLBEHPTWDBGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S/c1-27-12-3-2-4-13(8-12)28-10-16(26)25-6-5-14-11(9-25)7-15(30-14)17-23-18(29-24-17)19(20,21)22/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 439.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166109288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).