2-(4-tert-butylphenyl)-5H-oxadiazole

C12H16N2O — CID 57012220

IUPAC2-(4-tert-butylphenyl)-5H-oxadiazole
SMILESCC(C)(C)c1ccc(N2N=CCO2)cc1
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-4-6-11(7-5-10)14-13-8-9-15-14/h4-8H,9H2,1-3H3
InChIKeyHBVQDHHCYPJVMW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.72
Rot. Bonds1

About 2-(4-tert-butylphenyl)-5H-oxadiazole

2-(4-tert-butylphenyl)-5H-oxadiazole (PubChem CID 57012220) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5H-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5H-oxadiazole
PubChem CID57012220
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-tert-butylphenyl)-5H-oxadiazole
SMILESCC(C)(C)c1ccc(N2N=CCO2)cc1
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-4-6-11(7-5-10)14-13-8-9-15-14/h4-8H,9H2,1-3H3
InChIKeyHBVQDHHCYPJVMW-UHFFFAOYSA-N
XLogP2.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-5-iodopyrazole
CID 53309902
(4-tert-butylphenyl)-trimethylsilane
CID 605751
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
(1S,4S)-5-(4-tert-butylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 176615827
5-(4-tert-butylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129268436
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
CID 145175028
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813
1-(4-tert-butylphenyl)-2,3-dihydropyrrole
CID 157298735
tris(4-tert-butylphenyl)gallane
CID 71443568
4-tert-butyl-1-(4-tert-butylphenyl)triazole
CID 162480796
2-(4-tert-butylphenyl)triazol-4-amine
CID 116799226

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5H-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5H-oxadiazole (CID 57012220) is 2-(4-tert-butylphenyl)-5H-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5H-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5H-oxadiazole is CC(C)(C)c1ccc(N2N=CCO2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5H-oxadiazole?
The InChIKey is HBVQDHHCYPJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)10-4-6-11(7-5-10)14-13-8-9-15-14/h4-8H,9H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5H-oxadiazole?
2-(4-tert-butylphenyl)-5H-oxadiazole has a molecular weight of 204.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5H-oxadiazole is sourced from PubChem (CID 57012220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).