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

C12H15N3O2S — CID 72919361

IUPAC3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2nc(C3CCOC3)no2)cs1
InChIInChI=1S/C12H15N3O2S/c1-2-3-10-13-9(7-18-10)12-14-11(15-17-12)8-4-5-16-6-8/h7-8H,2-6H2,1H3
InChIKeyZCLRBECGTJZSEW-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.65
Rot. Bonds4

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

3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 72919361) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
PubChem CID72919361
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2nc(C3CCOC3)no2)cs1
InChIInChI=1S/C12H15N3O2S/c1-2-3-10-13-9(7-18-10)12-14-11(15-17-12)8-4-5-16-6-8/h7-8H,2-6H2,1H3
InChIKeyZCLRBECGTJZSEW-UHFFFAOYSA-N
XLogP2.65
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.65
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-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole (CID 72919361) is 3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole is CCCc1nc(-c2nc(C3CCOC3)no2)cs1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is ZCLRBECGTJZSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-3-10-13-9(7-18-10)12-14-11(15-17-12)8-4-5-16-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 265.34 g/mol, XLogP of 2.65, 4 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-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72919361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).