3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole

C43H75N9O2S — CID 159544499

IUPAC3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O/c1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyMEPYWOZMHOLRKR-UHFFFAOYSA-N
MW782.20 g/mol
LogP13.20
Rot. Bonds10

About 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole

3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole (PubChem CID 159544499) has the molecular formula C43H75N9O2S and a molecular weight of 782.20 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole
PubChem CID159544499
Molecular FormulaC43H75N9O2S
Molecular Weight782.20 g/mol
Exact Mass781.58
IUPAC Name3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O/c1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyMEPYWOZMHOLRKR-UHFFFAOYSA-N
XLogP13.20
TPSA126.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.20
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole with MolForge

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Related Compounds

3,4-Dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
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3,5-Di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole
CID 157906759
1,4-Dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole
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1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole (CID 159544499) is 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole is CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole?
The InChIKey is MEPYWOZMHOLRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O/c1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole?
3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole has a molecular weight of 782.20 g/mol, XLogP of 13.20, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 159544499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).