5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile

C119H191FN16O2S2 — CID 159214242

IUPAC5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile
SMILESC.C.CC(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)(C)C)sn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C2(C)CC2)n1.CC(C)c1ccn(C(C)(C)C)n1.CC(C)c1ccn(C2CC2)c1.CC(C)c1ccnc(C(C)(C)C#N)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccsc1C(C)(C)F.CC(C)c1nccn1C1CC1.CCNC(=O)Nc1cccc(C(C)C)n1
InChIInChI=1S/C12H16N2.C12H17N.C12H19N.C11H17N3O.C11H18N2.C10H15FS.C10H18N2.C10H17NO.C10H17NS.C10H15N.C9H14N2.2CH4/c1-9(2)10-5-6-14-11(7-10)12(3,4)8-13;1-9(2)10-5-4-6-11(13-10)12(3)7-8-12;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-4-12-11(15)14-10-7-5-6-9(13-10)8(2)3;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-7(2)8-5-6-12-9(8)10(3,4)11;1-8(2)9-6-7-12(11-9)10(3,4)5;2*1-7(2)8-6-9(12-11-8)10(3,4)5;1-8(2)9-5-6-11(7-9)10-3-4-10;1-7(2)9-10-5-6-11(9)8-3-4-8;;/h5-7,9H,1-4H3;4-6,9H,7-8H2,1-3H3;6-9H,1-5H3;5-8H,4H2,1-3H3,(H2,12,13,14,15);6-8H,1-5H3;5-7H,1-4H3;6-8H,1-5H3;2*6-7H,1-5H3;5-8,10H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;2*1H4
InChIKeyKQWFHDLOFGWDHI-UHFFFAOYSA-N
MW1961.08 g/mol
LogP35.07
Rot. Bonds18

About 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile

5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile (PubChem CID 159214242) has the molecular formula C119H191FN16O2S2 and a molecular weight of 1961.08 g/mol. Its IUPAC name is 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile
PubChem CID159214242
Molecular FormulaC119H191FN16O2S2
Molecular Weight1961.08 g/mol
Exact Mass1959.48
IUPAC Name5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile
SMILESC.C.CC(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)(C)C)sn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C2(C)CC2)n1.CC(C)c1ccn(C(C)(C)C)n1.CC(C)c1ccn(C2CC2)c1.CC(C)c1ccnc(C(C)(C)C#N)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccsc1C(C)(C)F.CC(C)c1nccn1C1CC1.CCNC(=O)Nc1cccc(C(C)C)n1
InChIInChI=1S/C12H16N2.C12H17N.C12H19N.C11H17N3O.C11H18N2.C10H15FS.C10H18N2.C10H17NO.C10H17NS.C10H15N.C9H14N2.2CH4/c1-9(2)10-5-6-14-11(7-10)12(3,4)8-13;1-9(2)10-5-4-6-11(13-10)12(3)7-8-12;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-4-12-11(15)14-10-7-5-6-9(13-10)8(2)3;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-7(2)8-5-6-12-9(8)10(3,4)11;1-8(2)9-6-7-12(11-9)10(3,4)5;2*1-7(2)8-6-9(12-11-8)10(3,4)5;1-8(2)9-5-6-11(7-9)10-3-4-10;1-7(2)9-10-5-6-11(9)8-3-4-8;;/h5-7,9H,1-4H3;4-6,9H,7-8H2,1-3H3;6-9H,1-5H3;5-8H,4H2,1-3H3,(H2,12,13,14,15);6-8H,1-5H3;5-7H,1-4H3;6-8H,1-5H3;2*6-7H,1-5H3;5-8,10H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;2*1H4
InChIKeyKQWFHDLOFGWDHI-UHFFFAOYSA-N
XLogP35.07
TPSA221.75 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001961.08
LogP ≤ 535.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile with MolForge

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Related Compounds

2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 159754919
1-tert-butyl-3-propan-2-ylpyrazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(4-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-oxazole;2-(2-fluoropropan-2-yl)-4-propan-2-ylpyrimidine;4-(2-fluoropropan-2-yl)-2-propan-2-ylpyrimidine;5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;2-methyl-2-(3-propan-2-ylphenyl)propanenitrile;N-methyl-N-(6-propan-2-yl-2-pyridinyl)methanesulfonamide;2-methyl-2-(6-propan-2-yl-2-pyridinyl)propanenitrile;N-(4-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylthiophene;1-propan-2-yl-3-[1-(trifluoromethyl)cyclopropyl]benzene;trimethyl-(4-propan-2-yl-2-pyridinyl)silane
CID 161595316
1-Tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene
CID 157426196
2-tert-butyl-4-ethyl-1,3-thiazole;3-tert-butyl-5-(fluoromethyl)-1,2-oxazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tris(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157905791
5-tert-butyl-1-methyl-3-phenylpyrazole;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3,3-dimethylbutyl)imidazolidin-2-one;4-(3,3-dimethylbutyl)-1-methylimidazole;3-(3,3-dimethylbutyl)-5-methyl-1,2-oxazole;2-(3,3-dimethylbutyl)-1-methylpyrrolidine;2-(3,3-dimethylbutyl)-3-methylthiophene;1-(3,3-dimethylbutyl)piperidine;5-(3,3-dimethylbutyl)pyridin-2-amine;2-(3,3-dimethylbutyl)pyridine;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;2-(3,3-dimethylbutyl)pyrrolidine;(2S)-2-(2,2-dimethylpropyl)oxolane;(2R)-2-(2,2-dimethylpropyl)oxolane;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine
CID 157938903
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine
CID 158425445
5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(4-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)-6-propan-2-ylpyridin-2-amine;2-methyl-2-(6-propan-2-yl-2-pyridinyl)propanenitrile;N-(4-propan-2-yl-2-pyridinyl)acetamide;1-(4-propan-2-yl-2-pyridinyl)cyclopropane-1-carbonitrile;3-propan-2-ylthiophene;trimethyl-(4-propan-2-yl-2-pyridinyl)silane
CID 158795975
N-[3-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-2-yl]acetamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-3-pyridinyl)methanone;(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 158890767
N-[3-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-2-yl]acetamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
CID 158952824
3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide
CID 159032620
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 159077103
2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159116040

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile?
The IUPAC name of 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile (CID 159214242) is 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile.
What is the SMILES notation for 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile?
The canonical SMILES for 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile is C.C.CC(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)(C)C)sn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C2(C)CC2)n1.CC(C)c1ccn(C(C)(C)C)n1.CC(C)c1ccn(C2CC2)c1.CC(C)c1ccnc(C(C)(C)C#N)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccsc1C(C)(C)F.CC(C)c1nccn1C1CC1.CCNC(=O)Nc1cccc(C(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile?
The InChIKey is KQWFHDLOFGWDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H17N.C12H19N.C11H17N3O.C11H18N2.C10H15FS.C10H18N2.C10H17NO.C10H17NS.C10H15N.C9H14N2.2CH4/c1-9(2)10-5-6-14-11(7-10)12(3,4)8-13;1-9(2)10-5-4-6-11(13-10)12(3)7-8-12;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-4-12-11(15)14-10-7-5-6-9(13-10)8(2)3;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-7(2)8-5-6-12-9(8)10(3,4)11;1-8(2)9-6-7-12(11-9)10(3,4)5;2*1-7(2)8-6-9(12-11-8)10(3,4)5;1-8(2)9-5-6-11(7-9)10-3-4-10;1-7(2)9-10-5-6-11(9)8-3-4-8;;/h5-7,9H,1-4H3;4-6,9H,7-8H2,1-3H3;6-9H,1-5H3;5-8H,4H2,1-3H3,(H2,12,13,14,15);6-8H,1-5H3;5-7H,1-4H3;6-8H,1-5H3;2*6-7H,1-5H3;5-8,10H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;2*1H4.
What are the key properties of 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile?
5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile has a molecular weight of 1961.08 g/mol, XLogP of 35.07, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;5-tert-butyl-3-propan-2-yl-1,2-thiazole;1-cyclopropyl-2-propan-2-ylimidazole;1-cyclopropyl-3-propan-2-ylpyrrole;1-ethyl-3-(6-propan-2-yl-2-pyridinyl)urea;2-(2-fluoropropan-2-yl)-3-propan-2-ylthiophene;methane;2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile is sourced from PubChem (CID 159214242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).