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

C63H108N10O3S — CID 157237078

IUPAC2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H17N.2C9H16N2.2C9H15NO.C9H15NS.C8H14N2O/c1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyAUTJJACGXXMEJB-UHFFFAOYSA-N
MW1085.69 g/mol
LogP19.73
Rot. Bonds14

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

2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole (PubChem CID 157237078) has the molecular formula C63H108N10O3S and a molecular weight of 1085.69 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
PubChem CID157237078
Molecular FormulaC63H108N10O3S
Molecular Weight1085.69 g/mol
Exact Mass1084.83
IUPAC Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H17N.2C9H16N2.2C9H15NO.C9H15NS.C8H14N2O/c1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyAUTJJACGXXMEJB-UHFFFAOYSA-N
XLogP19.73
TPSA169.63 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.69
LogP ≤ 519.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

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Related Compounds

3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;4-tert-butyl-5-methyl-1,3-thiazole
CID 157146488
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
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CID 157981696
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5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
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4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 160045520
5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole (CID 157237078) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole is CC(C)C1=CN=C(C(C)C)C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
The InChIKey is AUTJJACGXXMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.2C9H16N2.2C9H15NO.C9H15NS.C8H14N2O/c1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole has a molecular weight of 1085.69 g/mol, XLogP of 19.73, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 157237078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).