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

C25H39N9O — CID 161135858

IUPAC1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole
SMILESCc1cc(C)on1.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnn(C)c1
InChIInChI=1S/C6H9N.2C5H8N2.C5H7NO.C4H7N3/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4;1-4-3-7(2)6-5-4/h3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyUMUALKFGRIMNAF-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.21
Rot. Bonds

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

1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole (PubChem CID 161135858) has the molecular formula C25H39N9O and a molecular weight of 481.65 g/mol. Its IUPAC name is 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole.

Molecular Properties

Compound Name1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole
PubChem CID161135858
Molecular FormulaC25H39N9O
Molecular Weight481.65 g/mol
Exact Mass481.33
IUPAC Name1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole
SMILESCc1cc(C)on1.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnn(C)c1
InChIInChI=1S/C6H9N.2C5H8N2.C5H7NO.C4H7N3/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4;1-4-3-7(2)6-5-4/h3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyUMUALKFGRIMNAF-UHFFFAOYSA-N
XLogP4.21
TPSA97.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3,5-Dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
CID 97467082
4-Butyl-1-propan-2-ylpyrazole;4-chloro-1-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;1,1,1-trifluoro-2-methylpropane
CID 158459230
3-Tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
CID 165000668
4-Tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;1-tert-butyl-3-(1,1-difluoroethyl)pyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
CID 165007747
4-{[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-3,5-dimethylisoxazole
CID 50975243
3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97471154
3,5-dimethyl-4-[[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 131651842
3,5-Dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
CID 155899621
3-[(2-Ethylimidazol-1-yl)methyl]-5-[2-(1-methylpyrazol-4-yl)ethynyl]-1,2-oxazole
CID 135386952
4-[(4-Imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 141361162
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide;methane
CID 157317586
4,6-Dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine;5-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole;2-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 157537294

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole?
The IUPAC name of 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole (CID 161135858) is 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole.
What is the SMILES notation for 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole?
The canonical SMILES for 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole is Cc1cc(C)on1.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnn(C)c1.
What is the InChIKey of 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole?
The InChIKey is UMUALKFGRIMNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.2C5H8N2.C5H7NO.C4H7N3/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4;1-4-3-7(2)6-5-4/h3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3.
What are the key properties of 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole?
1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole has a molecular weight of 481.65 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;1,4-dimethyltriazole is sourced from PubChem (CID 161135858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).