1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane

C125H219N14O7S4+ — CID 157146819

IUPAC1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)[n+]1ccoc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1ccnc1.Cc1nc(C(C)(C)C)no1.Cc1nnc(C(C)(C)C)o1.Cc1snnc1C(C)(C)C
InChIInChI=1S/C17H20O.C16H18O.2C7H12N2O.C7H12N2S.C7H12N2.C7H11NO.C7H12NO.C7H11NO.3C7H11NS.11C2H6/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(9-10-5)7(2,3)4;1-5-6(7(2,3)4)8-9-10-5;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-8-5-9-6;1-7(2,3)8-4-5-9-6-8;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;11*1-2/h4-12H,13H2,1-3H3;4-12H,1-3H3;3*1-4H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3;11*1-2H3/q;;;;;;;+1;;;;;;;;;;;;;;;
InChIKeyCJWQLDLEAICHIL-UHFFFAOYSA-N
MW2158.49 g/mol
LogP40.35
Rot. Bonds5

About 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane

1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane (PubChem CID 157146819) has the molecular formula C125H219N14O7S4+ and a molecular weight of 2158.49 g/mol. Its IUPAC name is 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane
PubChem CID157146819
Molecular FormulaC125H219N14O7S4+
Molecular Weight2158.49 g/mol
Exact Mass2156.61
IUPAC Name1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)[n+]1ccoc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1ccnc1.Cc1nc(C(C)(C)C)no1.Cc1nnc(C(C)(C)C)o1.Cc1snnc1C(C)(C)C
InChIInChI=1S/C17H20O.C16H18O.2C7H12N2O.C7H12N2S.C7H12N2.C7H11NO.C7H12NO.C7H11NO.3C7H11NS.11C2H6/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(9-10-5)7(2,3)4;1-5-6(7(2,3)4)8-9-10-5;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-8-5-9-6;1-7(2,3)8-4-5-9-6-8;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;11*1-2/h4-12H,13H2,1-3H3;4-12H,1-3H3;3*1-4H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3;11*1-2H3/q;;;;;;;+1;;;;;;;;;;;;;;;
InChIKeyCJWQLDLEAICHIL-UHFFFAOYSA-N
XLogP40.35
TPSA247.65 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002158.49
LogP ≤ 540.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane?
The IUPAC name of 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane (CID 157146819) is 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane.
What is the SMILES notation for 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane?
The canonical SMILES for 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)[n+]1ccoc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1ccnc1.Cc1nc(C(C)(C)C)no1.Cc1nnc(C(C)(C)C)o1.Cc1snnc1C(C)(C)C.
What is the InChIKey of 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane?
The InChIKey is CJWQLDLEAICHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.C16H18O.2C7H12N2O.C7H12N2S.C7H12N2.C7H11NO.C7H12NO.C7H11NO.3C7H11NS.11C2H6/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(9-10-5)7(2,3)4;1-5-6(7(2,3)4)8-9-10-5;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-8-5-9-6;1-7(2,3)8-4-5-9-6-8;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;11*1-2/h4-12H,13H2,1-3H3;4-12H,1-3H3;3*1-4H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3;11*1-2H3/q;;;;;;;+1;;;;;;;;;;;;;;;.
What are the key properties of 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane?
1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane has a molecular weight of 2158.49 g/mol, XLogP of 40.35, 5 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;4-tert-butyl-5-methylthiadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1,3-oxazol-3-ium;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenylmethoxybenzene;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane is sourced from PubChem (CID 157146819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).