5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole
C108H152N20O6 — CID 159407541
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole
SMILESCC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.CC(C)C1=CCN=C1.CC(C)c1ccno1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H16N2O.2C13H16N2.2C12H15N3.C8H14N2O.C8H14N2.C8H13NO2.C8H13NO.C7H11N.C6H9NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;2*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6-5-7(10-9-6)8(2,3)4;1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-7-8-6/h4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3
InChIKeyLODQAELJHVLMAE-UHFFFAOYSA-N
MW1826.54 g/mol
LogP26.75
Rot. Bonds10
About 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole
5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole (PubChem CID 159407541) has the molecular formula C108H152N20O6 and a molecular weight of 1826.54 g/mol. Its IUPAC name is 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole.
Molecular Properties
| Compound Name | 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole |
|---|---|
| PubChem CID | 159407541 |
| Molecular Formula | C108H152N20O6 |
| Molecular Weight | 1826.54 g/mol |
| Exact Mass | 1825.22 |
| IUPAC Name | 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole |
| SMILES | CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.CC(C)C1=CCN=C1.CC(C)c1ccno1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cnn(C(C)(C)C)c1 |
| InChI | InChI=1S/C13H16N2O.2C13H16N2.2C12H15N3.C8H14N2O.C8H14N2.C8H13NO2.C8H13NO.C7H11N.C6H9NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;2*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6-5-7(10-9-6)8(2,3)4;1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-7-8-6/h4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3 |
| InChIKey | LODQAELJHVLMAE-UHFFFAOYSA-N |
| XLogP | 26.75 |
| TPSA | 268.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 134 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1826.54 |
| LogP ≤ 5 | 26.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole?
The IUPAC name of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole (CID 159407541) is 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole?
The canonical SMILES for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole is CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.CC(C)C1=CCN=C1.CC(C)c1ccno1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cnn(C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole?
The InChIKey is LODQAELJHVLMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.2C13H16N2.2C12H15N3.C8H14N2O.C8H14N2.C8H13NO2.C8H13NO.C7H11N.C6H9NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;2*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6-5-7(10-9-6)8(2,3)4;1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-7-8-6/h4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3.
What are the key properties of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole?
5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole has a molecular weight of 1826.54 g/mol, XLogP of 26.75, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 159407541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159407541 — identifiers, structure, computed properties (public domain)
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