cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole

C136H212N26O3S4 — CID 167578112

IUPACcumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1=CC=CC1.CC(C)C1=CCC=N1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCN=C1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1nccn1
InChIInChI=1S/C9H12.C8H12.4C7H11N.C7H10O.2C7H10S.6C6H10N2.2C6H9NO.2C6H9NS.2C5H9N3/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5/h3-8H,1-2H3;3-5,7H,6H2,1-2H3;3,5-6H,4H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;3,5H,4H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyGUQJVEAYNFZXLD-UHFFFAOYSA-N
MW2387.64 g/mol
LogP39.50
Rot. Bonds21

About cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole

cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 167578112) has the molecular formula C136H212N26O3S4 and a molecular weight of 2387.64 g/mol. Its IUPAC name is cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Namecumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID167578112
Molecular FormulaC136H212N26O3S4
Molecular Weight2387.64 g/mol
Exact Mass2385.61
IUPAC Namecumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1=CC=CC1.CC(C)C1=CCC=N1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCN=C1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1nccn1
InChIInChI=1S/C9H12.C8H12.4C7H11N.C7H10O.2C7H10S.6C6H10N2.2C6H9NO.2C6H9NS.2C5H9N3/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5/h3-8H,1-2H3;3-5,7H,6H2,1-2H3;3,5-6H,4H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;3,5H,4H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyGUQJVEAYNFZXLD-UHFFFAOYSA-N
XLogP39.50
TPSA362.53 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002387.64
LogP ≤ 539.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

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-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
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;methane;3-propan-2-ylfuran;1-propan-2-ylimidazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
CID 159774368
5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole
CID 159788923
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;4-cyclopropyl-2-propan-2-yl-1,3-thiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 159813468
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(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-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;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;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol
CID 160710342
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
CID 161130887
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
2-hydroxy-4-methylidene-3-propan-2-ylcyclobut-2-en-1-one;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole;1,1,1-trifluoro-3-methylbutan-2-ol
CID 161555264
5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);4-tert-butyl-1-ethylpyrazole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;bis(5-tert-butyl-2-methyl-1,3-thiazole);bis(1-tert-butylpyrazole);(5-tert-butylthiophen-2-yl)methanol;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole
CID 161672009
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

Frequently Asked Questions

What is the IUPAC name of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole (CID 167578112) is cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)C1=CC=CC1.CC(C)C1=CCC=N1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCN=C1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1nccn1.
What is the InChIKey of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is GUQJVEAYNFZXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H12.4C7H11N.C7H10O.2C7H10S.6C6H10N2.2C6H9NO.2C6H9NS.2C5H9N3/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5/h3-8H,1-2H3;3-5,7H,6H2,1-2H3;3,5-6H,4H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;3,5H,4H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 2387.64 g/mol, XLogP of 39.50, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 167578112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).