tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane

C141H236F3N17O7 — CID 160685128

IUPACtert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncco1.CC(C)C1CC1.CC(C)C1CC1.CC(C)C1CCCCO1.CC(C)C1CCO1.Cc1cc(C(C)(C)C)no1.Cc1cnc(C(C)(C)C)nc1.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1
InChIInChI=1S/C10H14.C9H11F3O.C9H14N2.2C9H13N.C8H14N2.2C8H12N2.C8H13NO.2C8H16O.C8H16.C7H13N3.C7H12N2O.C7H11NO.C6H12O.2C6H12/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-4-6-9-10-7;1-6-5-7(9-10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-7;1-7(2,3)6-5-10(4)9-8-6;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-5(2)6-3-4-7-6;2*1-5(2)6-3-4-6/h4-8H,1-3H3;4-5H,1-3H3;5-6H,1-4H3;2*4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,1-4H3;7H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,4-6H2,1-3H3;5H,1-4H3;1-4H3;4-5H,1-3H3;5-6H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3
InChIKeyROQWLDVBEQVZMV-UHFFFAOYSA-N
MW2338.54 g/mol
LogP38.38
Rot. Bonds4

About tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane

tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane (PubChem CID 160685128) has the molecular formula C141H236F3N17O7 and a molecular weight of 2338.54 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane
PubChem CID160685128
Molecular FormulaC141H236F3N17O7
Molecular Weight2338.54 g/mol
Exact Mass2336.86
IUPAC Nametert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncco1.CC(C)C1CC1.CC(C)C1CC1.CC(C)C1CCCCO1.CC(C)C1CCO1.Cc1cc(C(C)(C)C)no1.Cc1cnc(C(C)(C)C)nc1.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1
InChIInChI=1S/C10H14.C9H11F3O.C9H14N2.2C9H13N.C8H14N2.2C8H12N2.C8H13NO.2C8H16O.C8H16.C7H13N3.C7H12N2O.C7H11NO.C6H12O.2C6H12/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-4-6-9-10-7;1-6-5-7(9-10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-7;1-7(2,3)6-5-10(4)9-8-6;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-5(2)6-3-4-7-6;2*1-5(2)6-3-4-6/h4-8H,1-3H3;4-5H,1-3H3;5-6H,1-4H3;2*4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,1-4H3;7H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,4-6H2,1-3H3;5H,1-4H3;1-4H3;4-5H,1-3H3;5-6H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3
InChIKeyROQWLDVBEQVZMV-UHFFFAOYSA-N
XLogP38.38
TPSA283.46 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds4
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.54
LogP ≤ 538.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane with MolForge

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Related Compounds

5-chloro-2-(2,2-dimethylpropyl)pyrimidine;2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;2-(2,2-dimethylpropyl)quinoline;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine
CID 157285930
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-6-methyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157682785
CID 157737741
CID 157737741
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 157823897
CID 158299830
CID 158299830
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 158413465
2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine
CID 158440305
CID 158711986
CID 158711986
CID 158759252
CID 158759252
CID 158813224
CID 158813224
1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-methyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 158815667
2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine
CID 159167502

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane?
The IUPAC name of tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane (CID 160685128) is tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane?
The canonical SMILES for tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane is CC(C)(C)C1CCC1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncco1.CC(C)C1CC1.CC(C)C1CC1.CC(C)C1CCCCO1.CC(C)C1CCO1.Cc1cc(C(C)(C)C)no1.Cc1cnc(C(C)(C)C)nc1.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1.
What is the InChIKey of tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane?
The InChIKey is ROQWLDVBEQVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H11F3O.C9H14N2.2C9H13N.C8H14N2.2C8H12N2.C8H13NO.2C8H16O.C8H16.C7H13N3.C7H12N2O.C7H11NO.C6H12O.2C6H12/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-4-6-9-10-7;1-6-5-7(9-10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-7;1-7(2,3)6-5-10(4)9-8-6;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-5(2)6-3-4-7-6;2*1-5(2)6-3-4-6/h4-8H,1-3H3;4-5H,1-3H3;5-6H,1-4H3;2*4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,1-4H3;7H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,4-6H2,1-3H3;5H,1-4H3;1-4H3;4-5H,1-3H3;5-6H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3.
What are the key properties of tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane?
tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane has a molecular weight of 2338.54 g/mol, XLogP of 38.38, 4 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane is sourced from PubChem (CID 160685128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).