7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane

C13H15N3O3S — CID 75430107

IUPAC7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESc1cc(-c2nc(CN3CCC4(C3)OCCO4)no2)cs1
InChIInChI=1S/C13H15N3O3S/c1-6-20-8-10(1)12-14-11(15-19-12)7-16-3-2-13(9-16)17-4-5-18-13/h1,6,8H,2-5,7,9H2
InChIKeyXHYBKJUGLCFKJW-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.75
Rot. Bonds3

About 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane

7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 75430107) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID75430107
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESc1cc(-c2nc(CN3CCC4(C3)OCCO4)no2)cs1
InChIInChI=1S/C13H15N3O3S/c1-6-20-8-10(1)12-14-11(15-19-12)7-16-3-2-13(9-16)17-4-5-18-13/h1,6,8H,2-5,7,9H2
InChIKeyXHYBKJUGLCFKJW-UHFFFAOYSA-N
XLogP1.75
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane (CID 75430107) is 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane is c1cc(-c2nc(CN3CCC4(C3)OCCO4)no2)cs1.
What is the InChIKey of 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is XHYBKJUGLCFKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-6-20-8-10(1)12-14-11(15-19-12)7-16-3-2-13(9-16)17-4-5-18-13/h1,6,8H,2-5,7,9H2.
What are the key properties of 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 293.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 75430107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).