3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole

C19H19F2N3O2S — CID 78817560

IUPAC3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
SMILESCCC1c2ccsc2CCN1Cc1nc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C19H19F2N3O2S/c1-2-14-12-8-10-27-16(12)7-9-24(14)11-17-22-18(23-26-17)13-5-3-4-6-15(13)25-19(20)21/h3-6,8,10,14,19H,2,7,9,11H2,1H3
InChIKeyGCZBUYUPDKBANM-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.91
Rot. Bonds6

About 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole

3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 78817560) has the molecular formula C19H19F2N3O2S and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
PubChem CID78817560
Molecular FormulaC19H19F2N3O2S
Molecular Weight391.44 g/mol
Exact Mass391.12
IUPAC Name3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
SMILESCCC1c2ccsc2CCN1Cc1nc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C19H19F2N3O2S/c1-2-14-12-8-10-27-16(12)7-9-24(14)11-17-22-18(23-26-17)13-5-3-4-6-15(13)25-19(20)21/h3-6,8,10,14,19H,2,7,9,11H2,1H3
InChIKeyGCZBUYUPDKBANM-UHFFFAOYSA-N
XLogP4.91
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 86952151
3-[2-(difluoromethoxy)phenyl]-5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78815482
1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 78815383
3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 78845832
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18088979
3-[2-(difluoromethoxy)phenyl]-5-[[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78898930
2-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 78807327
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
1-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
CID 78879613
3-[2-(difluoromethoxy)phenyl]-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807785
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 78850653
3-(3-bromophenyl)-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 55445463

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole (CID 78817560) is 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole is CCC1c2ccsc2CCN1Cc1nc(-c2ccccc2OC(F)F)no1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is GCZBUYUPDKBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S/c1-2-14-12-8-10-27-16(12)7-9-24(14)11-17-22-18(23-26-17)13-5-3-4-6-15(13)25-19(20)21/h3-6,8,10,14,19H,2,7,9,11H2,1H3.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 391.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 78817560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).