1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine

C140H212F4N18O11S — CID 159630485

IUPAC1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine
SMILESC=C(c1cc(C(C)(C)C)on1)N1CCOCC1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnc(C2CC2)s1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1cnn(Cc2ccccc2)c1.CC1=NC(C(C)C)=CC1.CCCc1cc(C(C)C)on1.CCc1coc(C(C)(C)C)c1.CCc1coc(C(C)(C)C)n1.CN(C)C(=O)c1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)C)o1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C13H20N2O2.C13H16N2.C10H16N2O2.C10H15NO.C10H15NS.C10H16O.C9H11F.2C9H15NO.C8H11F3N2O.C8H14N2.C8H13NO.C8H13N.C8H11N.C7H11NO/c1-10(15-5-7-16-8-6-15)11-9-12(17-14-11)13(2,3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2,3)8-6-7(11-14-8)9(13)12(4)5;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-6-11-9(12-8)7-4-5-7;1-5-8-6-9(11-7-8)10(2,3)4;1-7(2)8-4-3-5-9(10)6-8;1-5-7-6-11-8(10-7)9(2,3)4;1-4-5-8-6-9(7(2)3)11-10-8;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-8(2,3)7-5-9-10(4)6-7;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-5-4-7(3)9-8;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-4-6(3)9-7/h9H,1,5-8H2,2-4H3;3-8,10-11H,9H2,1-2H3;6H,1-5H3;2*6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3;6H,5H2,1-4H3;6-7H,4-5H2,1-3H3;4H2,1-3H3;5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3
InChIKeyMPBCQTUEOIMQRQ-UHFFFAOYSA-N
MW2431.41 g/mol
LogP37.72
Rot. Bonds18

About 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine

1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine (PubChem CID 159630485) has the molecular formula C140H212F4N18O11S and a molecular weight of 2431.41 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine
PubChem CID159630485
Molecular FormulaC140H212F4N18O11S
Molecular Weight2431.41 g/mol
Exact Mass2429.62
IUPAC Name1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine
SMILESC=C(c1cc(C(C)(C)C)on1)N1CCOCC1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnc(C2CC2)s1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1cnn(Cc2ccccc2)c1.CC1=NC(C(C)C)=CC1.CCCc1cc(C(C)C)on1.CCc1coc(C(C)(C)C)c1.CCc1coc(C(C)(C)C)n1.CN(C)C(=O)c1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)C)o1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C13H20N2O2.C13H16N2.C10H16N2O2.C10H15NO.C10H15NS.C10H16O.C9H11F.2C9H15NO.C8H11F3N2O.C8H14N2.C8H13NO.C8H13N.C8H11N.C7H11NO/c1-10(15-5-7-16-8-6-15)11-9-12(17-14-11)13(2,3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2,3)8-6-7(11-14-8)9(13)12(4)5;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-6-11-9(12-8)7-4-5-7;1-5-8-6-9(11-7-8)10(2,3)4;1-7(2)8-4-3-5-9(10)6-8;1-5-7-6-11-8(10-7)9(2,3)4;1-4-5-8-6-9(7(2)3)11-10-8;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-8(2,3)7-5-9-10(4)6-7;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-5-4-7(3)9-8;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-4-6(3)9-7/h9H,1,5-8H2,2-4H3;3-8,10-11H,9H2,1-2H3;6H,1-5H3;2*6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3;6H,5H2,1-4H3;6-7H,4-5H2,1-3H3;4H2,1-3H3;5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3
InChIKeyMPBCQTUEOIMQRQ-UHFFFAOYSA-N
XLogP37.72
TPSA340.83 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.41
LogP ≤ 537.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;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;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;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;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157067177
3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 157069614
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;5-tert-butyl-3-ethyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;2-cyclopropyl-4-methyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,3-oxazole
CID 157131748
CID 157164204
CID 157164204
CID 157298273
CID 157298273
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;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;bis(5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole);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;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157501942
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
CID 157737741
CID 157737741
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
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;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;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;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole
CID 157989358

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine (CID 159630485) is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine is C=C(c1cc(C(C)(C)C)on1)N1CCOCC1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnc(C2CC2)s1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1cnn(Cc2ccccc2)c1.CC1=NC(C(C)C)=CC1.CCCc1cc(C(C)C)on1.CCc1coc(C(C)(C)C)c1.CCc1coc(C(C)(C)C)n1.CN(C)C(=O)c1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)C)o1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine?
The InChIKey is MPBCQTUEOIMQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.C13H16N2.C10H16N2O2.C10H15NO.C10H15NS.C10H16O.C9H11F.2C9H15NO.C8H11F3N2O.C8H14N2.C8H13NO.C8H13N.C8H11N.C7H11NO/c1-10(15-5-7-16-8-6-15)11-9-12(17-14-11)13(2,3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2,3)8-6-7(11-14-8)9(13)12(4)5;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-6-11-9(12-8)7-4-5-7;1-5-8-6-9(11-7-8)10(2,3)4;1-7(2)8-4-3-5-9(10)6-8;1-5-7-6-11-8(10-7)9(2,3)4;1-4-5-8-6-9(7(2)3)11-10-8;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-8(2,3)7-5-9-10(4)6-7;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-5-4-7(3)9-8;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-4-6(3)9-7/h9H,1,5-8H2,2-4H3;3-8,10-11H,9H2,1-2H3;6H,1-5H3;2*6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3;6H,5H2,1-4H3;6-7H,4-5H2,1-3H3;4H2,1-3H3;5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine?
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine has a molecular weight of 2431.41 g/mol, XLogP of 37.72, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine is sourced from PubChem (CID 159630485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).