1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole

C24H37N9O2 — CID 158771962

IUPAC1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole
SMILESCc1ccn(C)n1.Cc1cn(C)cn1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1ncn(C)n1
InChIInChI=1S/2C5H8N2.2C5H7NO.C4H7N3/c1-5-3-7(2)4-6-5;1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4/h2*3-4H,1-2H3;3*3H,1-2H3
InChIKeyIPZFOZNAYKPMNR-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.16
Rot. Bonds

About 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole

1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole (PubChem CID 158771962) has the molecular formula C24H37N9O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole
PubChem CID158771962
Molecular FormulaC24H37N9O2
Molecular Weight483.62 g/mol
Exact Mass483.31
IUPAC Name1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole
SMILESCc1ccn(C)n1.Cc1cn(C)cn1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1ncn(C)n1
InChIInChI=1S/2C5H8N2.2C5H7NO.C4H7N3/c1-5-3-7(2)4-6-5;1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4/h2*3-4H,1-2H3;3*3H,1-2H3
InChIKeyIPZFOZNAYKPMNR-UHFFFAOYSA-N
XLogP4.16
TPSA118.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

1,4-Ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole
CID 157138620
3,5-Dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 157710611
Methane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole
CID 157961057
Bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)
CID 158833029
1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
CID 159107648
2-Propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole
CID 159143389
4-Methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
CID 159751299
5-Tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
CID 159816209
3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);1,3-dimethyl-1,2,4-triazole;1,3-dimethyl-3H-1,2,4-triazol-1-ium
CID 160364240
2,5-dimethyl-4H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole;ethane;2-methyl-1,3-oxazole
CID 160639272
Methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole)
CID 160903048
Methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
CID 161006760

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole?
The IUPAC name of 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole (CID 158771962) is 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole.
What is the SMILES notation for 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole?
The canonical SMILES for 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole is Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1ncn(C)n1.
What is the InChIKey of 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole?
The InChIKey is IPZFOZNAYKPMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.2C5H7NO.C4H7N3/c1-5-3-7(2)4-6-5;1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4/h2*3-4H,1-2H3;3*3H,1-2H3.
What are the key properties of 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole?
1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole has a molecular weight of 483.62 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole is sourced from PubChem (CID 158771962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).