5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole

C17H23N3OS — CID 167763948

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole
SMILESCCCC1(c2noc(CN3CCc4sccc4C3)n2)CCC1
InChIInChI=1S/C17H23N3OS/c1-2-6-17(7-3-8-17)16-18-15(21-19-16)12-20-9-4-14-13(11-20)5-10-22-14/h5,10H,2-4,6-9,11-12H2,1H3
InChIKeyQXUCCFDVGWDFNE-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.91
Rot. Bonds5

About 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole

5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 167763948) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole
PubChem CID167763948
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole
SMILESCCCC1(c2noc(CN3CCc4sccc4C3)n2)CCC1
InChIInChI=1S/C17H23N3OS/c1-2-6-17(7-3-8-17)16-18-15(21-19-16)12-20-9-4-14-13(11-20)5-10-22-14/h5,10H,2-4,6-9,11-12H2,1H3
InChIKeyQXUCCFDVGWDFNE-UHFFFAOYSA-N
XLogP3.91
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole (CID 167763948) is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole is CCCC1(c2noc(CN3CCc4sccc4C3)n2)CCC1.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is QXUCCFDVGWDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-6-17(7-3-8-17)16-18-15(21-19-16)12-20-9-4-14-13(11-20)5-10-22-14/h5,10H,2-4,6-9,11-12H2,1H3.
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole?
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 317.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167763948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).