methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole

C38H77N11O — CID 157241978

IUPACmethane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole
SMILESC.C.C.C.C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1nnn(C)n1.Cc1nc(C(C)C)no1
InChIInChI=1S/C8H13N.2C7H12N2.C6H10N2O.C5H10N4.5CH4/c1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-4(2)6-7-5(3)9-8-6;1-4(2)5-6-8-9(3)7-5;;;;;/h4-7H,1-3H3;2*4-6H,1-3H3;2*4H,1-3H3;5*1H4
InChIKeyAVHZVVAPJLUSES-UHFFFAOYSA-N
MW704.11 g/mol
LogP10.25
Rot. Bonds5

About methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole

methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole (PubChem CID 157241978) has the molecular formula C38H77N11O and a molecular weight of 704.11 g/mol. Its IUPAC name is methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole.

Molecular Properties

Compound Namemethane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole
PubChem CID157241978
Molecular FormulaC38H77N11O
Molecular Weight704.11 g/mol
Exact Mass703.63
IUPAC Namemethane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole
SMILESC.C.C.C.C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1nnn(C)n1.Cc1nc(C(C)C)no1
InChIInChI=1S/C8H13N.2C7H12N2.C6H10N2O.C5H10N4.5CH4/c1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-4(2)6-7-5(3)9-8-6;1-4(2)5-6-8-9(3)7-5;;;;;/h4-7H,1-3H3;2*4-6H,1-3H3;2*4H,1-3H3;5*1H4
InChIKeyAVHZVVAPJLUSES-UHFFFAOYSA-N
XLogP10.25
TPSA123.09 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.11
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole with MolForge

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Related Compounds

3,5-Dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 157070346
3,5-Ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole
CID 157264768
5-Methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole
CID 157645114
Bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
CID 157966506
1,4-Ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
CID 158196696
3,5-Ditert-butyl-1,2,4-oxadiazole;bis(1,3-ditert-butylpyrazole);bis(1,4-ditert-butylpyrazole)
CID 158248186
1,4-Di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
CID 158536238
3,5-Dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 158761444
Bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
CID 158922772
1,4-Dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)
CID 159189858
1,4-Di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
CID 159710538
2,4-Dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole
CID 159972054

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole?
The IUPAC name of methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole (CID 157241978) is methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole.
What is the SMILES notation for methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole?
The canonical SMILES for methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole is C.C.C.C.C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1nnn(C)n1.Cc1nc(C(C)C)no1.
What is the InChIKey of methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole?
The InChIKey is AVHZVVAPJLUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.2C7H12N2.C6H10N2O.C5H10N4.5CH4/c1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-4(2)6-7-5(3)9-8-6;1-4(2)5-6-8-9(3)7-5;;;;;/h4-7H,1-3H3;2*4-6H,1-3H3;2*4H,1-3H3;5*1H4.
What are the key properties of methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole?
methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole has a molecular weight of 704.11 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole is sourced from PubChem (CID 157241978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).