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

C134H234N26O6S — CID 158070861

IUPAC1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)C1=CCC(C(C)C)=N1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1nc(C(C)C)oc1C(C)C
InChIInChI=1S/C10H17NO.2C10H17N.C9H17N3.3C9H16N2.3C9H15NO.C9H15NS.2C8H15N3.2C8H14N2O/c1-6(2)9-8(5)11-10(12-9)7(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)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;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h6-7H,1-5H3;5-9H,1-4H3;5,7-8H,6H2,1-4H3;6-7H,1-5H3;3*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyFLUNPOMEJRRPLJ-UHFFFAOYSA-N
MW2337.59 g/mol
LogP40.03
Rot. Bonds30

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

1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 158070861) has the molecular formula C134H234N26O6S and a molecular weight of 2337.59 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID158070861
Molecular FormulaC134H234N26O6S
Molecular Weight2337.59 g/mol
Exact Mass2335.85
IUPAC Name1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)C1=CCC(C(C)C)=N1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1nc(C(C)C)oc1C(C)C
InChIInChI=1S/C10H17NO.2C10H17N.C9H17N3.3C9H16N2.3C9H15NO.C9H15NS.2C8H15N3.2C8H14N2O/c1-6(2)9-8(5)11-10(12-9)7(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)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;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h6-7H,1-5H3;5-9H,1-4H3;5,7-8H,6H2,1-4H3;6-7H,1-5H3;3*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyFLUNPOMEJRRPLJ-UHFFFAOYSA-N
XLogP40.03
TPSA357.73 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002337.59
LogP ≤ 540.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

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

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Launch Full Analysis

Related Compounds

CID 157298273
CID 157298273
3-Tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-2-methyl-5-propan-2-yl-1,2,4-oxadiazol-2-ium;1,5-dimethyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 157545873
3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;methane;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;4-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;1-propan-2-yl-1,2,4-triazole
CID 157603729
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole
CID 157658282
5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole
CID 158558344
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
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5-Tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene
CID 159318111
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
4-Tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)
CID 159534240
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-yl-4H-pyrazol-1-ium;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 159575313

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (CID 158070861) is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is CC(C)C1=CCC(C(C)C)=N1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1nc(C(C)C)oc1C(C)C.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is FLUNPOMEJRRPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.2C10H17N.C9H17N3.3C9H16N2.3C9H15NO.C9H15NS.2C8H15N3.2C8H14N2O/c1-6(2)9-8(5)11-10(12-9)7(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)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;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h6-7H,1-5H3;5-9H,1-4H3;5,7-8H,6H2,1-4H3;6-7H,1-5H3;3*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 2337.59 g/mol, XLogP of 40.03, 30 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 158070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).