3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole

C14H16N2O2S — CID 72840454

IUPAC3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole
SMILESc1c(-c2nc(C3CCOC3)no2)sc2c1CCCC2
InChIInChI=1S/C14H16N2O2S/c1-2-4-11-9(3-1)7-12(19-11)14-15-13(16-18-14)10-5-6-17-8-10/h7,10H,1-6,8H2
InChIKeyWQFPRFTYLSUCRL-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.18
Rot. Bonds2

About 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 72840454) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole
PubChem CID72840454
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole
SMILESc1c(-c2nc(C3CCOC3)no2)sc2c1CCCC2
InChIInChI=1S/C14H16N2O2S/c1-2-4-11-9(3-1)7-12(19-11)14-15-13(16-18-14)10-5-6-17-8-10/h7,10H,1-6,8H2
InChIKeyWQFPRFTYLSUCRL-UHFFFAOYSA-N
XLogP3.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole (CID 72840454) is 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole is c1c(-c2nc(C3CCOC3)no2)sc2c1CCCC2.
What is the InChIKey of 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is WQFPRFTYLSUCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-4-11-9(3-1)7-12(19-11)14-15-13(16-18-14)10-5-6-17-8-10/h7,10H,1-6,8H2.
What are the key properties of 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 276.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72840454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).