5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole

C172H282F7N31O12S — CID 161234648

IUPAC5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESC.C.C.C.CC(C)(C)c1cc(C(=O)N2CCOCC2)no1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnn(Cc2ccccn2)c1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cc(CC(F)(F)F)no1.CC(C)c1cn(C)cn1.CC(C)c1cnc(C2CC2)o1.CC(F)c1noc(C(C)(C)C)n1.CCc1cc(C(C)(C)C)on1.CCc1coc(C(C)(C)C)c1.CCn1cc(C(C)(C)C)nn1.CCn1ncc(C(C)(C)C)n1.Cc1c(C(C)(C)C)cnn1C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C)n(C(C)C)n1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)C)c1.Cc1ncn(C(C)(C)C)n1
InChIInChI=1S/C13H17N3.C12H18N2O3.C10H15NO.C10H15N.C10H16O.C9H16N2.C9H13NO.C9H15NO.C8H11F3N2O.C8H10F3NO.C8H13FN2O.2C8H15N3.C8H14N2.2C8H13NO.C8H12S.C7H13N3.C7H12N2.4CH4/c1-13(2,3)11-8-15-16(9-11)10-12-6-4-5-7-14-12;1-12(2,3)10-8-9(13-17-10)11(15)14-4-6-16-7-5-14;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-8-7-9(5-6-11-8)10(2,3)4;1-5-8-6-9(11-7-8)10(2,3)4;1-7-8(9(2,3)4)6-10-11(7)5;1-6(2)8-5-10-9(11-8)7-3-4-7;1-5-7-6-8(11-10-7)9(2,3)4;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-5(2)7-3-6(12-13-7)4-8(9,10)11;1-5(9)6-10-7(12-11-6)8(2,3)4;1-5-11-6-7(9-10-11)8(2,3)4;1-5-11-9-6-7(10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-4-7(3)5-9-8;1-6-8-5-10(9-6)7(2,3)4;1-6(2)7-4-9(3)5-8-7;;;;/h4-9H,10H2,1-3H3;8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;5-7H,1-4H3;6-7H,5H2,1-4H3;6H,1-5H3;5-7H,3-4H2,1-2H3;6H,5H2,1-4H3;4H2,1-3H3;3,5H,4H2,1-2H3;5H,1-4H3;2*6H,5H2,1-4H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;5H,1-4H3;4-6H,1-3H3;4*1H4
InChIKeyUZFDDJRHOVOPES-UHFFFAOYSA-N
MW3141.41 g/mol
LogP46.20
Rot. Bonds17

About 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole

5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole (PubChem CID 161234648) has the molecular formula C172H282F7N31O12S and a molecular weight of 3141.41 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole
PubChem CID161234648
Molecular FormulaC172H282F7N31O12S
Molecular Weight3141.41 g/mol
Exact Mass3139.20
IUPAC Name5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESC.C.C.C.CC(C)(C)c1cc(C(=O)N2CCOCC2)no1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnn(Cc2ccccn2)c1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cc(CC(F)(F)F)no1.CC(C)c1cn(C)cn1.CC(C)c1cnc(C2CC2)o1.CC(F)c1noc(C(C)(C)C)n1.CCc1cc(C(C)(C)C)on1.CCc1coc(C(C)(C)C)c1.CCn1cc(C(C)(C)C)nn1.CCn1ncc(C(C)(C)C)n1.Cc1c(C(C)(C)C)cnn1C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C)n(C(C)C)n1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)C)c1.Cc1ncn(C(C)(C)C)n1
InChIInChI=1S/C13H17N3.C12H18N2O3.C10H15NO.C10H15N.C10H16O.C9H16N2.C9H13NO.C9H15NO.C8H11F3N2O.C8H10F3NO.C8H13FN2O.2C8H15N3.C8H14N2.2C8H13NO.C8H12S.C7H13N3.C7H12N2.4CH4/c1-13(2,3)11-8-15-16(9-11)10-12-6-4-5-7-14-12;1-12(2,3)10-8-9(13-17-10)11(15)14-4-6-16-7-5-14;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-8-7-9(5-6-11-8)10(2,3)4;1-5-8-6-9(11-7-8)10(2,3)4;1-7-8(9(2,3)4)6-10-11(7)5;1-6(2)8-5-10-9(11-8)7-3-4-7;1-5-7-6-8(11-10-7)9(2,3)4;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-5(2)7-3-6(12-13-7)4-8(9,10)11;1-5(9)6-10-7(12-11-6)8(2,3)4;1-5-11-6-7(9-10-11)8(2,3)4;1-5-11-9-6-7(10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-4-7(3)5-9-8;1-6-8-5-10(9-6)7(2,3)4;1-6(2)7-4-9(3)5-8-7;;;;/h4-9H,10H2,1-3H3;8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;5-7H,1-4H3;6-7H,5H2,1-4H3;6H,1-5H3;5-7H,3-4H2,1-2H3;6H,5H2,1-4H3;4H2,1-3H3;3,5H,4H2,1-2H3;5H,1-4H3;2*6H,5H2,1-4H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;5H,1-4H3;4-6H,1-3H3;4*1H4
InChIKeyUZFDDJRHOVOPES-UHFFFAOYSA-N
XLogP46.20
TPSA491.92 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds17
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003141.41
LogP ≤ 546.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole 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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole (CID 161234648) is 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole is C.C.C.C.CC(C)(C)c1cc(C(=O)N2CCOCC2)no1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnn(Cc2ccccn2)c1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cc(CC(F)(F)F)no1.CC(C)c1cn(C)cn1.CC(C)c1cnc(C2CC2)o1.CC(F)c1noc(C(C)(C)C)n1.CCc1cc(C(C)(C)C)on1.CCc1coc(C(C)(C)C)c1.CCn1cc(C(C)(C)C)nn1.CCn1ncc(C(C)(C)C)n1.Cc1c(C(C)(C)C)cnn1C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C)n(C(C)C)n1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)C)c1.Cc1ncn(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole?
The InChIKey is UZFDDJRHOVOPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C12H18N2O3.C10H15NO.C10H15N.C10H16O.C9H16N2.C9H13NO.C9H15NO.C8H11F3N2O.C8H10F3NO.C8H13FN2O.2C8H15N3.C8H14N2.2C8H13NO.C8H12S.C7H13N3.C7H12N2.4CH4/c1-13(2,3)11-8-15-16(9-11)10-12-6-4-5-7-14-12;1-12(2,3)10-8-9(13-17-10)11(15)14-4-6-16-7-5-14;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-8-7-9(5-6-11-8)10(2,3)4;1-5-8-6-9(11-7-8)10(2,3)4;1-7-8(9(2,3)4)6-10-11(7)5;1-6(2)8-5-10-9(11-8)7-3-4-7;1-5-7-6-8(11-10-7)9(2,3)4;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-5(2)7-3-6(12-13-7)4-8(9,10)11;1-5(9)6-10-7(12-11-6)8(2,3)4;1-5-11-6-7(9-10-11)8(2,3)4;1-5-11-9-6-7(10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-4-7(3)5-9-8;1-6-8-5-10(9-6)7(2,3)4;1-6(2)7-4-9(3)5-8-7;;;;/h4-9H,10H2,1-3H3;8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;5-7H,1-4H3;6-7H,5H2,1-4H3;6H,1-5H3;5-7H,3-4H2,1-2H3;6H,5H2,1-4H3;4H2,1-3H3;3,5H,4H2,1-2H3;5H,1-4H3;2*6H,5H2,1-4H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;5H,1-4H3;4-6H,1-3H3;4*1H4.
What are the key properties of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole?
5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole has a molecular weight of 3141.41 g/mol, XLogP of 46.20, 17 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-cyclopropyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-4-ethylfuran;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-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2-oxazole is sourced from PubChem (CID 161234648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).