2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole

C75H123N13O2S2 — CID 158049489

IUPAC2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/C11H17N.3C10H16N2.C9H15NO.C9H15NS.C8H14N2O.C8H14N2S/c1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyFJHONRANNBOUHR-UHFFFAOYSA-N
MW1303.03 g/mol
LogP22.91
Rot. Bonds16

About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole

2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 158049489) has the molecular formula C75H123N13O2S2 and a molecular weight of 1303.03 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID158049489
Molecular FormulaC75H123N13O2S2
Molecular Weight1303.03 g/mol
Exact Mass1301.94
IUPAC Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/C11H17N.3C10H16N2.C9H15NO.C9H15NS.C8H14N2O.C8H14N2S/c1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyFJHONRANNBOUHR-UHFFFAOYSA-N
XLogP22.91
TPSA193.85 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.03
LogP ≤ 522.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
Ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976521
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;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;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-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 157105515
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
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
5-tert-butyl-2-propan-2-yl-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;5-ethyl-2-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
CID 157229571
2,5-Di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
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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;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
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2,5-Ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyl-1,3-thiazole;methane
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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
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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

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole (CID 158049489) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole is CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is FJHONRANNBOUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.3C10H16N2.C9H15NO.C9H15NS.C8H14N2O.C8H14N2S/c1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole?
2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 1303.03 g/mol, XLogP of 22.91, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 158049489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).