cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole

C189H286F3N27O9S4 — CID 161331256

IUPACcumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole
SMILESCC(C)C1CCCCC1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ncco1.CC(C)c1nnco1.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1nccn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)n1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)n1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
InChIInChI=1S/3C9H11F.C9H18.C9H12.C8H11NO.3C8H11N.C8H12O.C8H12S.2C7H12N2.2C7H11NO.2C7H11NS.2C7H10O.C6H11N3.C6H10N2O.C6H10N2S.C6H10N2.C6H9NO.C5H9N3.C5H8N2O/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)9-5-4-7(3)8-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)9-7-4-6(3)8-9;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5/h3*3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4*4-6H,1-3H3;4*4-5H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyVLLFRCZGKWRDIU-UHFFFAOYSA-N
MW3265.81 g/mol
LogP56.25
Rot. Bonds26

About cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole

cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole (PubChem CID 161331256) has the molecular formula C189H286F3N27O9S4 and a molecular weight of 3265.81 g/mol. Its IUPAC name is cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole.

Molecular Properties

Compound Namecumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole
PubChem CID161331256
Molecular FormulaC189H286F3N27O9S4
Molecular Weight3265.81 g/mol
Exact Mass3263.16
IUPAC Namecumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole
SMILESCC(C)C1CCCCC1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ncco1.CC(C)c1nnco1.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1nccn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)n1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)n1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
InChIInChI=1S/3C9H11F.C9H18.C9H12.C8H11NO.3C8H11N.C8H12O.C8H12S.2C7H12N2.2C7H11NO.2C7H11NS.2C7H10O.C6H11N3.C6H10N2O.C6H10N2S.C6H10N2.C6H9NO.C5H9N3.C5H8N2O/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)9-5-4-7(3)8-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)9-7-4-6(3)8-9;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5/h3*3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4*4-6H,1-3H3;4*4-5H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyVLLFRCZGKWRDIU-UHFFFAOYSA-N
XLogP56.25
TPSA422.46 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003265.81
LogP ≤ 556.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 157237142
cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158110433
2-[3,5-Bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 158811429
2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 159089456
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161152120
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;2-[(4-methylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161459908
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161686232
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450
cumene;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 161888980
1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;1-cyclobutyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;ethane;fluoromethane;methane;bis(1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole);1-(3-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole;toluene
CID 157228656
2-Tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone
CID 157249195
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
CID 157281708

Frequently Asked Questions

What is the IUPAC name of cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole?
The IUPAC name of cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole (CID 161331256) is cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole.
What is the SMILES notation for cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole?
The canonical SMILES for cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole is CC(C)C1CCCCC1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ncco1.CC(C)c1nnco1.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1nccn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)n1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)n1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.
What is the InChIKey of cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole?
The InChIKey is VLLFRCZGKWRDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H11F.C9H18.C9H12.C8H11NO.3C8H11N.C8H12O.C8H12S.2C7H12N2.2C7H11NO.2C7H11NS.2C7H10O.C6H11N3.C6H10N2O.C6H10N2S.C6H10N2.C6H9NO.C5H9N3.C5H8N2O/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)9-5-4-7(3)8-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)9-7-4-6(3)8-9;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5/h3*3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4*4-6H,1-3H3;4*4-5H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole?
cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole has a molecular weight of 3265.81 g/mol, XLogP of 56.25, 26 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole is sourced from PubChem (CID 161331256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).