1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene

C26H37N7O — CID 159689414

IUPAC1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene
SMILESCc1ccccc1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1nccn1C.Cc1ncco1
InChIInChI=1S/C7H8.3C5H8N2.C4H5NO/c1-7-5-3-2-4-6-7;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-4-5-2-3-6-4/h2-6H,1H3;3*3-4H,1-2H3;2-3H,1H3
InChIKeyMWFIUNXJKGEVFE-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.16
Rot. Bonds

About 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene

1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene (PubChem CID 159689414) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene.

Molecular Properties

Compound Name1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene
PubChem CID159689414
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene
SMILESCc1ccccc1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1nccn1C.Cc1ncco1
InChIInChI=1S/C7H8.3C5H8N2.C4H5NO/c1-7-5-3-2-4-6-7;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-4-5-2-3-6-4/h2-6H,1H3;3*3-4H,1-2H3;2-3H,1H3
InChIKeyMWFIUNXJKGEVFE-UHFFFAOYSA-N
XLogP5.16
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-(6-(6-(4-Fluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl)ethanone
CID 59457798
1-[3-[6-[6-(4-Fluorocyclohexa-2,4-dien-1-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 71097470
(E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine
CID 89209664
6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
CID 172637674
2-[[4-[2-[3-(1-Methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]methyl]-1,3-oxazole
CID 72944431
5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90918850
6-[6-(1-Propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146407914
6-(1-Cyclopropylpyrazol-3-yl)-5-imidazo[1,2-a]pyridin-6-ylimidazo[2,1-b][1,3]oxazole
CID 146407919
6-(1-cyclopropylpyrazol-3-yl)-5-(3-methyl-4H-quinazolin-6-yl)imidazo[2,1-b][1,3]oxazole
CID 146407933
5-Imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole
CID 146407958
(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide
CID 146408053
(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 155378444

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene?
The IUPAC name of 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene (CID 159689414) is 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene.
What is the SMILES notation for 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene?
The canonical SMILES for 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene is Cc1ccccc1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1nccn1C.Cc1ncco1.
What is the InChIKey of 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene?
The InChIKey is MWFIUNXJKGEVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C5H8N2.C4H5NO/c1-7-5-3-2-4-6-7;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-4-5-2-3-6-4/h2-6H,1H3;3*3-4H,1-2H3;2-3H,1H3.
What are the key properties of 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene?
1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene has a molecular weight of 463.63 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;1,4-dimethylimidazole;1,3-dimethylpyrazole;2-methyl-1,3-oxazole;toluene is sourced from PubChem (CID 159689414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).