4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole

C171H269ClF2N40O2+2 — CID 158382122

IUPAC4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole
SMILESCC(C)(C)C1=CCN=N1.CC(C)(C)C1=NC=CC1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1nccn1-c1ccccc1.CC(C)(C)n1cccn1.CC(C)C1=NCC=[N+]1C(C)C.CC(C)c1nccn1-c1ccccc1.CC(C)n1cc(C(C)(F)F)cn1.CC(C)n1ccnc1.CC(C)n1cnc(-c2ccccc2)c1.CC(C)n1cnc(C(C)(C)C)c1.CC(C)n1cnc(Cl)c1.CC1=NCC=[N+]1C(C)C.CCc1cn(C(C)C)cn1.Cc1cn(C(C)C)cn1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C13H16N2.C12H15N3.2C12H14N2.C10H18N2.C9H17N2.2C9H15NO.C8H12F2N2.2C8H14N2.C8H13N.C7H13N3.3C7H12N2.C7H13N2.C6H9ClN2.C6H11N3.C6H10N2/c1-13(2,3)12-14-9-10-15(12)11-7-5-4-6-8-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-10(2)14-8-12(13-9-14)11-6-4-3-5-7-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11;1-8(2)12-6-9(11-7-12)10(3,4)5;1-7(2)9-10-5-6-11(9)8(3)4;1-6-8(9(3,4)5)10-7(2)11-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6(2)12-5-7(4-11-12)8(3,9)10;1-8(2,3)7-5-9-10(4)6-7;1-4-8-5-10(6-9-8)7(2)3;1-8(2,3)7-5-4-6-9-7;1-5(2)10-7(4)8-6(3)9-10;1-6(2)9-4-7(3)8-5-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-6(2)9-5-4-8-7(9)3;1-5(2)9-3-6(7)8-4-9;1-5(2)9-4-7-6(3)8-9;1-6(2)8-4-3-7-5-8/h4-10H,1-3H3;4-9H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;6-8H,5H2,1-4H3;2*1-5H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4,6H,5H2,1-3H3;5H,1-4H3;2*4-6H,1-3H3;4H,5H2,1-3H3;5-6H,4H2,1-3H3;3-5H,1-2H3;4-5H,1-3H3;3-6H,1-2H3/q;;;;;+1;;;;;;;;;;;+1;;;
InChIKeyLJROZBGIFQMNPI-UHFFFAOYSA-N
MW2990.76 g/mol
LogP42.98
Rot. Bonds19

About 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole

4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole (PubChem CID 158382122) has the molecular formula C171H269ClF2N40O2+2 and a molecular weight of 2990.76 g/mol. Its IUPAC name is 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole
PubChem CID158382122
Molecular FormulaC171H269ClF2N40O2+2
Molecular Weight2990.76 g/mol
Exact Mass2988.18
IUPAC Name4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole
SMILESCC(C)(C)C1=CCN=N1.CC(C)(C)C1=NC=CC1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1nccn1-c1ccccc1.CC(C)(C)n1cccn1.CC(C)C1=NCC=[N+]1C(C)C.CC(C)c1nccn1-c1ccccc1.CC(C)n1cc(C(C)(F)F)cn1.CC(C)n1ccnc1.CC(C)n1cnc(-c2ccccc2)c1.CC(C)n1cnc(C(C)(C)C)c1.CC(C)n1cnc(Cl)c1.CC1=NCC=[N+]1C(C)C.CCc1cn(C(C)C)cn1.Cc1cn(C(C)C)cn1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C13H16N2.C12H15N3.2C12H14N2.C10H18N2.C9H17N2.2C9H15NO.C8H12F2N2.2C8H14N2.C8H13N.C7H13N3.3C7H12N2.C7H13N2.C6H9ClN2.C6H11N3.C6H10N2/c1-13(2,3)12-14-9-10-15(12)11-7-5-4-6-8-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-10(2)14-8-12(13-9-14)11-6-4-3-5-7-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11;1-8(2)12-6-9(11-7-12)10(3,4)5;1-7(2)9-10-5-6-11(9)8(3)4;1-6-8(9(3,4)5)10-7(2)11-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6(2)12-5-7(4-11-12)8(3,9)10;1-8(2,3)7-5-9-10(4)6-7;1-4-8-5-10(6-9-8)7(2)3;1-8(2,3)7-5-4-6-9-7;1-5(2)10-7(4)8-6(3)9-10;1-6(2)9-4-7(3)8-5-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-6(2)9-5-4-8-7(9)3;1-5(2)9-3-6(7)8-4-9;1-5(2)9-4-7-6(3)8-9;1-6(2)8-4-3-7-5-8/h4-10H,1-3H3;4-9H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;6-8H,5H2,1-4H3;2*1-5H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4,6H,5H2,1-3H3;5H,1-4H3;2*4-6H,1-3H3;4H,5H2,1-3H3;5-6H,4H2,1-3H3;3-5H,1-2H3;4-5H,1-3H3;3-6H,1-2H3/q;;;;;+1;;;;;;;;;;;+1;;;
InChIKeyLJROZBGIFQMNPI-UHFFFAOYSA-N
XLogP42.98
TPSA408.03 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds19
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002990.76
LogP ≤ 542.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole with MolForge

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Related Compounds

2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 158471695
cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 163963054
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
CID 159096169
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
CID 159239091
1-Methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-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;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159773721
tert-butylcyclopentane;tert-butylcyclopropane;4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluorocyclopentane;3-tert-butyl-5-fluoropyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;1-tert-butylpyrrolidine;1-(3,3-dimethylbutan-2-yl)-3,5-difluorobenzene;1-(2,2-dimethylpentan-3-yl)-4-fluorobenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-methoxy-3,3-dimethylbutane;N,N,2-trimethylpropan-2-amine
CID 160327864
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane
CID 161860851
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;bis(2-(2,2-dimethylpropyl)pyrazine);3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane
CID 167544739

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole?
The IUPAC name of 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole (CID 158382122) is 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole.
What is the SMILES notation for 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole?
The canonical SMILES for 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole is CC(C)(C)C1=CCN=N1.CC(C)(C)C1=NC=CC1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1nccn1-c1ccccc1.CC(C)(C)n1cccn1.CC(C)C1=NCC=[N+]1C(C)C.CC(C)c1nccn1-c1ccccc1.CC(C)n1cc(C(C)(F)F)cn1.CC(C)n1ccnc1.CC(C)n1cnc(-c2ccccc2)c1.CC(C)n1cnc(C(C)(C)C)c1.CC(C)n1cnc(Cl)c1.CC1=NCC=[N+]1C(C)C.CCc1cn(C(C)C)cn1.Cc1cn(C(C)C)cn1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole?
The InChIKey is LJROZBGIFQMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H15N3.2C12H14N2.C10H18N2.C9H17N2.2C9H15NO.C8H12F2N2.2C8H14N2.C8H13N.C7H13N3.3C7H12N2.C7H13N2.C6H9ClN2.C6H11N3.C6H10N2/c1-13(2,3)12-14-9-10-15(12)11-7-5-4-6-8-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-10(2)14-8-12(13-9-14)11-6-4-3-5-7-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11;1-8(2)12-6-9(11-7-12)10(3,4)5;1-7(2)9-10-5-6-11(9)8(3)4;1-6-8(9(3,4)5)10-7(2)11-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6(2)12-5-7(4-11-12)8(3,9)10;1-8(2,3)7-5-9-10(4)6-7;1-4-8-5-10(6-9-8)7(2)3;1-8(2,3)7-5-4-6-9-7;1-5(2)10-7(4)8-6(3)9-10;1-6(2)9-4-7(3)8-5-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-6(2)9-5-4-8-7(9)3;1-5(2)9-3-6(7)8-4-9;1-5(2)9-4-7-6(3)8-9;1-6(2)8-4-3-7-5-8/h4-10H,1-3H3;4-9H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;6-8H,5H2,1-4H3;2*1-5H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4,6H,5H2,1-3H3;5H,1-4H3;2*4-6H,1-3H3;4H,5H2,1-3H3;5-6H,4H2,1-3H3;3-5H,1-2H3;4-5H,1-3H3;3-6H,1-2H3/q;;;;;+1;;;;;;;;;;;+1;;;.
What are the key properties of 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole?
4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole has a molecular weight of 2990.76 g/mol, XLogP of 42.98, 19 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,5-dimethyl-1,3-oxazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-3H-pyrrole;4-chloro-1-propan-2-ylimidazole;4-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1,2-di(propan-2-yl)-4H-imidazol-1-ium;4-ethyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-1-propan-2-yl-4H-imidazol-1-ium;3-methyl-1-propan-2-yl-1,2,4-triazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole is sourced from PubChem (CID 158382122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).