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

C8H12N6O — CID 139497334

IUPAC3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
SMILESCn1nnc(-c2nc(C(C)(C)C)no2)n1
InChIInChI=1S/C8H12N6O/c1-8(2,3)7-9-6(15-12-7)5-10-13-14(4)11-5/h1-4H3
InChIKeyMXYYTLQLGODGII-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.56
Rot. Bonds1

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

3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 139497334) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID139497334
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
SMILESCn1nnc(-c2nc(C(C)(C)C)no2)n1
InChIInChI=1S/C8H12N6O/c1-8(2,3)7-9-6(15-12-7)5-10-13-14(4)11-5/h1-4H3
InChIKeyMXYYTLQLGODGII-UHFFFAOYSA-N
XLogP0.56
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 71974197
3-tert-butyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 139497328
3-tert-butyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 139497329
3-Tert-butyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 139497333
5-(2-Methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 146238800
3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 147860722
3-Methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
CID 163945891
1-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 38206670
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62794222
5-[(3-Tert-butyl-5-chloro-1,2,4-triazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 63389351
3-[(5-Methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 84587243
3-[(3-Tert-butyl-5-chloro-1,2,4-triazol-4-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 106408176

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole (CID 139497334) is 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole is Cn1nnc(-c2nc(C(C)(C)C)no2)n1.
What is the InChIKey of 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is MXYYTLQLGODGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-8(2,3)7-9-6(15-12-7)5-10-13-14(4)11-5/h1-4H3.
What are the key properties of 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 208.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139497334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).