3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole

C9H9N3O2S — CID 71971376

IUPAC3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESc1nc(-c2nc(C3CCOC3)no2)cs1
InChIInChI=1S/C9H9N3O2S/c1-2-13-3-6(1)8-11-9(14-12-8)7-4-15-5-10-7/h4-6H,1-3H2
InChIKeyGMMRKLHDVSCJCC-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.70
Rot. Bonds2

About 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 71971376) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
PubChem CID71971376
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESc1nc(-c2nc(C3CCOC3)no2)cs1
InChIInChI=1S/C9H9N3O2S/c1-2-13-3-6(1)8-11-9(14-12-8)7-4-15-5-10-7/h4-6H,1-3H2
InChIKeyGMMRKLHDVSCJCC-UHFFFAOYSA-N
XLogP1.70
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole (CID 71971376) is 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole is c1nc(-c2nc(C3CCOC3)no2)cs1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is GMMRKLHDVSCJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-2-13-3-6(1)8-11-9(14-12-8)7-4-15-5-10-7/h4-6H,1-3H2.
What are the key properties of 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 223.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71971376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).