5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole

C7H10N6O — CID 139497374

IUPAC5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2nn[nH]n2)no1
InChIInChI=1S/C7H10N6O/c1-7(2,3)6-8-4(11-14-6)5-9-12-13-10-5/h1-3H3,(H,9,10,12,13)
InChIKeyAQOVHLQJFQAUPJ-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.55
Rot. Bonds1

About 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole

5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 139497374) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID139497374
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2nn[nH]n2)no1
InChIInChI=1S/C7H10N6O/c1-7(2,3)6-8-4(11-14-6)5-9-12-13-10-5/h1-3H3,(H,9,10,12,13)
InChIKeyAQOVHLQJFQAUPJ-UHFFFAOYSA-N
XLogP0.55
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (CID 139497374) is 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2nn[nH]n2)no1.
What is the InChIKey of 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is AQOVHLQJFQAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-7(2,3)6-8-4(11-14-6)5-9-12-13-10-5/h1-3H3,(H,9,10,12,13).
What are the key properties of 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 194.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139497374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).