bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

C31H40N10O2S — CID 157293237

IUPACbis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESCc1ccccn1.Cc1ncccn1.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1cccn1
InChIInChI=1S/C6H7N.C5H6N2.2C4H6N2.2C4H5NO.C4H5NS/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;2*1-6-4-2-3-5-6;3*1-4-5-2-3-6-4/h2-5H,1H3;2-4H,1H3;2*2-4H,1H3;3*2-3H,1H3
InChIKeyBBAXCHUHSSKNTK-UHFFFAOYSA-N
MW616.80 g/mol
LogP6.43
Rot. Bonds

About bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (PubChem CID 157293237) has the molecular formula C31H40N10O2S and a molecular weight of 616.80 g/mol. Its IUPAC name is bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.

Molecular Properties

Compound Namebis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
PubChem CID157293237
Molecular FormulaC31H40N10O2S
Molecular Weight616.80 g/mol
Exact Mass616.31
IUPAC Namebis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESCc1ccccn1.Cc1ncccn1.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1cccn1
InChIInChI=1S/C6H7N.C5H6N2.2C4H6N2.2C4H5NO.C4H5NS/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;2*1-6-4-2-3-5-6;3*1-4-5-2-3-6-4/h2-5H,1H3;2-4H,1H3;2*2-4H,1H3;3*2-3H,1H3
InChIKeyBBAXCHUHSSKNTK-UHFFFAOYSA-N
XLogP6.43
TPSA139.26 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500616.80
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole with MolForge

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Related Compounds

4-(1,1-Difluoroethyl)-2-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine
CID 157670881
2-Methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157065686
2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole
CID 157135326
Ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 157226919
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
Ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157552958
Ethane;1-methylimidazole;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methylpyridin-2-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yltriazole;pyridine;pyrimidine;1,3-thiazole
CID 157706715
tert-butylbenzene;2-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;ethane;methane
CID 157727444
2-propan-2-yl-1,3-oxazole;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidine;2-propan-2-yl-1,3-thiazole
CID 157881159
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 157992190
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158053582
1-Methyl-3-tritiobenzene;1-methyl-4-tritiobenzene;2-methyl-5-tritio-1,3-oxazole;5-methyl-2-tritio-1,3-oxazole;5-methyl-2-tritiopyridine;5-methyl-2-tritiopyrimidine;2-methyl-5-tritio-1,3-thiazole;5-methyl-2-tritio-1,3-thiazole
CID 158077140

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The IUPAC name of bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (CID 157293237) is bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.
What is the SMILES notation for bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The canonical SMILES for bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is Cc1ccccn1.Cc1ncccn1.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1cccn1.
What is the InChIKey of bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The InChIKey is BBAXCHUHSSKNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H6N2.2C4H6N2.2C4H5NO.C4H5NS/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;2*1-6-4-2-3-5-6;3*1-4-5-2-3-6-4/h2-5H,1H3;2-4H,1H3;2*2-4H,1H3;3*2-3H,1H3.
What are the key properties of bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole has a molecular weight of 616.80 g/mol, XLogP of 6.43, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is sourced from PubChem (CID 157293237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).