2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole

C25H42N8O3 — CID 165076932

IUPAC2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole
SMILESCCc1cc(CC)on1.CCc1cn(CC)nn1.CCc1nnc(CC)o1.CCc1noc(CC)n1
InChIInChI=1S/C7H11NO.C6H11N3.2C6H10N2O/c1-3-6-5-7(4-2)9-8-6;1-3-6-5-9(4-2)8-7-6;1-3-5-7-8-6(4-2)9-5;1-3-5-7-6(4-2)9-8-5/h2*5H,3-4H2,1-2H3;2*3-4H2,1-2H3
InChIKeyULRIQZOWMRCAPG-UHFFFAOYSA-N
MW502.66 g/mol
LogP5.05
Rot. Bonds8

About 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole

2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole (PubChem CID 165076932) has the molecular formula C25H42N8O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole.

Molecular Properties

Compound Name2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole
PubChem CID165076932
Molecular FormulaC25H42N8O3
Molecular Weight502.66 g/mol
Exact Mass502.34
IUPAC Name2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole
SMILESCCc1cc(CC)on1.CCc1cn(CC)nn1.CCc1nnc(CC)o1.CCc1noc(CC)n1
InChIInChI=1S/C7H11NO.C6H11N3.2C6H10N2O/c1-3-6-5-7(4-2)9-8-6;1-3-6-5-9(4-2)8-7-6;1-3-5-7-8-6(4-2)9-5;1-3-5-7-6(4-2)9-8-5/h2*5H,3-4H2,1-2H3;2*3-4H2,1-2H3
InChIKeyULRIQZOWMRCAPG-UHFFFAOYSA-N
XLogP5.05
TPSA134.58 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
CID 157568886
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole
CID 158612499
1,4-Di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)
CID 158912114
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;2,4-ditert-butyltriazole
CID 159013677
1,4-Ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
CID 159137052
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
CID 159204683
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole
CID 159785018
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;2,4-ditert-butyltriazole;methane
CID 159849137
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole);bis(2,5-dimethyltetrazole);2,4-dimethyltriazole
CID 161021707
2,5-Ditert-butyl-1,5-dihydrotetrazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
CID 162075355

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole?
The IUPAC name of 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole (CID 165076932) is 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole.
What is the SMILES notation for 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole?
The canonical SMILES for 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole is CCc1cc(CC)on1.CCc1cn(CC)nn1.CCc1nnc(CC)o1.CCc1noc(CC)n1.
What is the InChIKey of 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole?
The InChIKey is ULRIQZOWMRCAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H11N3.2C6H10N2O/c1-3-6-5-7(4-2)9-8-6;1-3-6-5-9(4-2)8-7-6;1-3-5-7-8-6(4-2)9-5;1-3-5-7-6(4-2)9-8-5/h2*5H,3-4H2,1-2H3;2*3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole?
2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole has a molecular weight of 502.66 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,3,4-oxadiazole;3,5-diethyl-1,2,4-oxadiazole;3,5-diethyl-1,2-oxazole;1,4-diethyltriazole is sourced from PubChem (CID 165076932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).