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

C32H51N19O5 — CID 161021707

IUPAC2,5-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
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1cnn(C)n1.Cc1nnc(C)o1.Cc1nnn(C)n1.Cc1nnn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/2C5H7NO.C4H7N3.3C4H6N2O.2C3H6N4/c2*1-4-3-5(2)7-6-4;1-4-3-5-7(2)6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;2*1-3-4-6-7(2)5-3/h3*3H,1-2H3;5*1-2H3
InChIKeyTYLPVBUFOFLDHT-UHFFFAOYSA-N
MW781.89 g/mol
LogP3.80
Rot. Bonds

About 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

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 (PubChem CID 161021707) has the molecular formula C32H51N19O5 and a molecular weight of 781.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID161021707
Molecular FormulaC32H51N19O5
Molecular Weight781.89 g/mol
Exact Mass781.43
IUPAC Name2,5-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
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1cnn(C)n1.Cc1nnc(C)o1.Cc1nnn(C)n1.Cc1nnn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/2C5H7NO.C4H7N3.3C4H6N2O.2C3H6N4/c2*1-4-3-5(2)7-6-4;1-4-3-5-7(2)6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;2*1-3-4-6-7(2)5-3/h3*3H,1-2H3;5*1-2H3
InChIKeyTYLPVBUFOFLDHT-UHFFFAOYSA-N
XLogP3.80
TPSA286.73 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.89
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

3,5-Dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)
CID 157591994
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
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;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole
CID 160509781
3,5-Dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;methane;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)
CID 161643384
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
(5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole
CID 167683365
2-tert-butyl-5-ethyl-1,3,4-oxadiazole;3-tert-butyl-5-ethyl-1,2-oxazole;4-tert-butyl-2-ethyltriazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);5-tert-butyl-2-methyltetrazole;5-tert-butyl-2-propan-2-yltetrazole;(E)-N-(cyclopropylmethoxy)-2,2-dimethylpropan-1-imine;3,3-dimethylbut-1-ene;(E)-2,2-dimethyl-N-propan-2-yloxypropan-1-imine;(E)-N-ethoxy-2,2-dimethylpentan-3-imine;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propoxypropane
CID 172917981

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnn(C)n1.Cc1nnc(C)o1.Cc1nnn(C)n1.Cc1nnn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.
What is the InChIKey of 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?
The InChIKey is TYLPVBUFOFLDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C4H7N3.3C4H6N2O.2C3H6N4/c2*1-4-3-5(2)7-6-4;1-4-3-5-7(2)6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;2*1-3-4-6-7(2)5-3/h3*3H,1-2H3;5*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 781.89 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161021707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).