2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole

C48H69N13O9 — CID 158004811

IUPAC2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole
SMILESCC1=CN=C(C)C1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H9N.6C5H7NO.3C4H6N2O/c1-5-3-6(2)7-4-5;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h4H,3H2,1-2H3;6*3H,1-2H3;3*1-2H3
InChIKeyFEDVBNUQIXZDJC-UHFFFAOYSA-N
MW972.16 g/mol
LogP11.56
Rot. Bonds

About 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole (PubChem CID 158004811) has the molecular formula C48H69N13O9 and a molecular weight of 972.16 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole
PubChem CID158004811
Molecular FormulaC48H69N13O9
Molecular Weight972.16 g/mol
Exact Mass971.53
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole
SMILESCC1=CN=C(C)C1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H9N.6C5H7NO.3C4H6N2O/c1-5-3-6(2)7-4-5;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h4H,3H2,1-2H3;6*3H,1-2H3;3*1-2H3
InChIKeyFEDVBNUQIXZDJC-UHFFFAOYSA-N
XLogP11.56
TPSA285.30 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500972.16
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole with MolForge

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Related Compounds

3-Tert-butyl-1-methyl-1,2,4-triazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-tert-butyl-4-(trifluoromethoxy)-1,2,5-thiadiazole
CID 158675568
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane
CID 157049384
2-Tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane;4-methyl-1,3-oxazole
CID 157440026
2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole;methane
CID 157611191
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
CID 157734609
3-Tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane
CID 157783321
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
2,5-Bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;bis(2,2,8,8-tetramethylnonane)
CID 158046977
Argon;ethane;2-methylpropane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole
CID 158201256
3-Tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane
CID 159048237
2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole;methane
CID 159433667
Argon;carbon dioxide;ethane;methane;2-methylpropane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-ol;2-propan-2-yl-1,3-oxazole;(2-propan-2-yl-1,3-oxazol-4-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-2-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol
CID 159433877

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(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole?
The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole (CID 158004811) is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole.
What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole?
The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole is CC1=CN=C(C)C1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1nnc(C)o1.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(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole?
The InChIKey is FEDVBNUQIXZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.6C5H7NO.3C4H6N2O/c1-5-3-6(2)7-4-5;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h4H,3H2,1-2H3;6*3H,1-2H3;3*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole?
2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole has a molecular weight of 972.16 g/mol, XLogP of 11.56, 0 rotatable bonds, 0 hydrogen bond donors, and 22 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(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole is sourced from PubChem (CID 158004811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).