3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole

C9H6N4OS — CID 62733396

IUPAC3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESc1csc(-c2nc(-c3ccon3)n[nH]2)c1
InChIInChI=1S/C9H6N4OS/c1-2-7(15-5-1)9-10-8(11-12-9)6-3-4-14-13-6/h1-5H,(H,10,11,12)
InChIKeyQGBLXCAFGQEDMP-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.19
Rot. Bonds2

About 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole

3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole (PubChem CID 62733396) has the molecular formula C9H6N4OS and a molecular weight of 218.24 g/mol. Its IUPAC name is 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
PubChem CID62733396
Molecular FormulaC9H6N4OS
Molecular Weight218.24 g/mol
Exact Mass218.03
IUPAC Name3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESc1csc(-c2nc(-c3ccon3)n[nH]2)c1
InChIInChI=1S/C9H6N4OS/c1-2-7(15-5-1)9-10-8(11-12-9)6-3-4-14-13-6/h1-5H,(H,10,11,12)
InChIKeyQGBLXCAFGQEDMP-UHFFFAOYSA-N
XLogP2.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401
3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 80745099
2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
CID 62735073
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 107972890
1-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)isoquinoline
CID 62733394
sulfuryl dichloride;3-thiophen-2-yl-1,2-oxazole
CID 160888974
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 55111523
3-(3,4-dimethylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62732820
3-(2,5-dichlorophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 63548676
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62733954
2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 62732647

Frequently Asked Questions

What is the IUPAC name of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
The IUPAC name of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole (CID 62733396) is 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole is c1csc(-c2nc(-c3ccon3)n[nH]2)c1.
What is the InChIKey of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
The InChIKey is QGBLXCAFGQEDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4OS/c1-2-7(15-5-1)9-10-8(11-12-9)6-3-4-14-13-6/h1-5H,(H,10,11,12).
What are the key properties of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole has a molecular weight of 218.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 62733396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).