5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium

C79H120N14O2Re2S2-2 — CID 157242718

IUPAC5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium
SMILESC=Cc1[nH]ncc1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1cc(C(C)(C)C)n(C)n1.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1nn(C)cc1C(C)(C)C.C=Cc1nocc1C(C)(C)C.CC(C)(C)c1c[c-]ns1.CC(C)(C)c1cn[c-]s1.[Re].[Re]
InChIInChI=1S/2C10H16N2.3C9H14N2.2C9H13NO.2C7H10NS.2Re/c1-6-9-8(10(2,3)4)7-12(5)11-9;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;;/h2*6-7H,1H2,2-5H3;3*5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3;2*4H,1-3H3;;/q;;;;;;;2*-1;;
InChIKeyDVJJBLIKDWMDHY-UHFFFAOYSA-N
MW1734.47 g/mol
LogP21.48
Rot. Bonds7

About 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium

5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium (PubChem CID 157242718) has the molecular formula C79H120N14O2Re2S2-2 and a molecular weight of 1734.47 g/mol. Its IUPAC name is 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium.

Molecular Properties

Compound Name5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium
PubChem CID157242718
Molecular FormulaC79H120N14O2Re2S2-2
Molecular Weight1734.47 g/mol
Exact Mass1734.83
IUPAC Name5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium
SMILESC=Cc1[nH]ncc1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1cc(C(C)(C)C)n(C)n1.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1nn(C)cc1C(C)(C)C.C=Cc1nocc1C(C)(C)C.CC(C)(C)c1c[c-]ns1.CC(C)(C)c1cn[c-]s1.[Re].[Re]
InChIInChI=1S/2C10H16N2.3C9H14N2.2C9H13NO.2C7H10NS.2Re/c1-6-9-8(10(2,3)4)7-12(5)11-9;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;;/h2*6-7H,1H2,2-5H3;3*5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3;2*4H,1-3H3;;/q;;;;;;;2*-1;;
InChIKeyDVJJBLIKDWMDHY-UHFFFAOYSA-N
XLogP21.48
TPSA199.52 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms99
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.47
LogP ≤ 521.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium?
The IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium (CID 157242718) is 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium.
What is the SMILES notation for 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium?
The canonical SMILES for 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium is C=Cc1[nH]ncc1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1cc(C(C)(C)C)n(C)n1.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1nn(C)cc1C(C)(C)C.C=Cc1nocc1C(C)(C)C.CC(C)(C)c1c[c-]ns1.CC(C)(C)c1cn[c-]s1.[Re].[Re].
What is the InChIKey of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium?
The InChIKey is DVJJBLIKDWMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2.3C9H14N2.2C9H13NO.2C7H10NS.2Re/c1-6-9-8(10(2,3)4)7-12(5)11-9;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;;/h2*6-7H,1H2,2-5H3;3*5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3;2*4H,1-3H3;;/q;;;;;;;2*-1;;.
What are the key properties of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium?
5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium has a molecular weight of 1734.47 g/mol, XLogP of 21.48, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium is sourced from PubChem (CID 157242718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).