4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one

C14H14N2O3S — CID 45200277

IUPAC4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(c2nc(-c3ccsc3)no2)C2(CCCC2)O1
InChIInChI=1S/C14H14N2O3S/c17-11-7-10(14(18-11)4-1-2-5-14)13-15-12(16-19-13)9-3-6-20-8-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyBAEWFCBIDBBMIW-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.14
Rot. Bonds2

About 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one

4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 45200277) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID45200277
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(c2nc(-c3ccsc3)no2)C2(CCCC2)O1
InChIInChI=1S/C14H14N2O3S/c17-11-7-10(14(18-11)4-1-2-5-14)13-15-12(16-19-13)9-3-6-20-8-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyBAEWFCBIDBBMIW-UHFFFAOYSA-N
XLogP3.14
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one (CID 45200277) is 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one is O=C1CC(c2nc(-c3ccsc3)no2)C2(CCCC2)O1.
What is the InChIKey of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is BAEWFCBIDBBMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-11-7-10(14(18-11)4-1-2-5-14)13-15-12(16-19-13)9-3-6-20-8-9/h3,6,8,10H,1-2,4-5,7H2.
What are the key properties of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one?
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 290.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 45200277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).