5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole

C12H14N6OS — CID 55602791

IUPAC5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1nc(Cn2nnc(-c3ccsc3)n2)no1
InChIInChI=1S/C12H14N6OS/c1-8(2)5-11-13-10(16-19-11)6-18-15-12(14-17-18)9-3-4-20-7-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGLZPTOWYQYMLOI-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.03
Rot. Bonds5

About 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole

5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 55602791) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID55602791
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1nc(Cn2nnc(-c3ccsc3)n2)no1
InChIInChI=1S/C12H14N6OS/c1-8(2)5-11-13-10(16-19-11)6-18-15-12(14-17-18)9-3-4-20-7-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGLZPTOWYQYMLOI-UHFFFAOYSA-N
XLogP2.03
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 47014414
5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
CID 97019005
5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79541947
3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 154840775
5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79542300
4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 35416899
N-[[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193953
4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 47087536
2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole
CID 136579660
2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
CID 71919365
(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
CID 100894135
N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348436

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole (CID 55602791) is 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole is CC(C)Cc1nc(Cn2nnc(-c3ccsc3)n2)no1.
What is the InChIKey of 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is GLZPTOWYQYMLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-8(2)5-11-13-10(16-19-11)6-18-15-12(14-17-18)9-3-4-20-7-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 290.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 55602791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).