2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane

C54H106N10O2 — CID 159506842

IUPAC2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nnco1
InChIInChI=1S/2C8H13N.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.6C2H6/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5;6*1-2/h2*4,6H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3;6*1-2H3
InChIKeyMACFOMCXQPSCSG-UHFFFAOYSA-N
MW927.51 g/mol
LogP16.74
Rot. Bonds

About 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane

2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane (PubChem CID 159506842) has the molecular formula C54H106N10O2 and a molecular weight of 927.51 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane.

Molecular Properties

Compound Name2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane
PubChem CID159506842
Molecular FormulaC54H106N10O2
Molecular Weight927.51 g/mol
Exact Mass926.85
IUPAC Name2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nnco1
InChIInChI=1S/2C8H13N.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.6C2H6/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5;6*1-2/h2*4,6H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3;6*1-2H3
InChIKeyMACFOMCXQPSCSG-UHFFFAOYSA-N
XLogP16.74
TPSA159.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.51
LogP ≤ 516.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane with MolForge

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Related Compounds

2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole
CID 157462376
1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
CID 158811694
5-tert-butyl-3-ethyl-1,2,4-oxadiazole;5-tert-butyl-3-(2-methoxyethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(methoxymethyl)-1,2,4-oxadiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-3H-pyrrole)
CID 162121144
2-[(4-tert-butylimidazol-1-yl)methyl]-1,3-oxazole;4-tert-butyl-5-methyl-1H-pyrazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-N-methylacetamide;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-propylimidazole
CID 165033456

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane?
The IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane (CID 159506842) is 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane.
What is the SMILES notation for 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane?
The canonical SMILES for 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane is CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nnco1.
What is the InChIKey of 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane?
The InChIKey is MACFOMCXQPSCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.6C2H6/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5;6*1-2/h2*4,6H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3;6*1-2H3.
What are the key properties of 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane?
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane has a molecular weight of 927.51 g/mol, XLogP of 16.74, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane is sourced from PubChem (CID 159506842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).