4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one

C19H16F3N3O3 — CID 166851158

IUPAC4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one
SMILESCCC1C(=O)N(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)Cc2occc21
InChIInChI=1S/C19H16F3N3O3/c1-2-13-14-7-8-27-15(14)10-25(17(13)26)9-11-3-5-12(6-4-11)16-23-18(28-24-16)19(20,21)22/h3-8,13H,2,9-10H2,1H3
InChIKeyXLYCZUWTWZMSEE-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.38
Rot. Bonds4

About 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one

4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one (PubChem CID 166851158) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one
PubChem CID166851158
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one
SMILESCCC1C(=O)N(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)Cc2occc21
InChIInChI=1S/C19H16F3N3O3/c1-2-13-14-7-8-27-15(14)10-25(17(13)26)9-11-3-5-12(6-4-11)16-23-18(28-24-16)19(20,21)22/h3-8,13H,2,9-10H2,1H3
InChIKeyXLYCZUWTWZMSEE-UHFFFAOYSA-N
XLogP4.38
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one?
The IUPAC name of 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one (CID 166851158) is 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one.
What is the SMILES notation for 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one?
The canonical SMILES for 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one is CCC1C(=O)N(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)Cc2occc21.
What is the InChIKey of 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one?
The InChIKey is XLYCZUWTWZMSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-2-13-14-7-8-27-15(14)10-25(17(13)26)9-11-3-5-12(6-4-11)16-23-18(28-24-16)19(20,21)22/h3-8,13H,2,9-10H2,1H3.
What are the key properties of 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one?
4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one has a molecular weight of 391.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one is sourced from PubChem (CID 166851158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).