Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole
C45H60N10O6S4 — CID 159400435
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnoc1C.Cc1cnsc1C
InChIInChI=1S/3C5H7NO.2C5H7NS.3C4H5NO.2C4H5NS/c1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h5*3H,1-2H3;5*2-3H,1H3
InChIKeyLNGPUPXRNZPUBY-UHFFFAOYSA-N
MW965.31 g/mol
LogP13.25
Rot. Bonds
About Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole
Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 159400435) has the molecular formula C45H60N10O6S4 and a molecular weight of 965.31 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole.
Molecular Properties
| Compound Name | Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole |
|---|---|
| PubChem CID | 159400435 |
| Molecular Formula | C45H60N10O6S4 |
| Molecular Weight | 965.31 g/mol |
| Exact Mass | 964.36 |
| IUPAC Name | bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole |
| SMILES | Cc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnoc1C.Cc1cnsc1C |
| InChI | InChI=1S/3C5H7NO.2C5H7NS.3C4H5NO.2C4H5NS/c1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h5*3H,1-2H3;5*2-3H,1H3 |
| InChIKey | LNGPUPXRNZPUBY-UHFFFAOYSA-N |
| XLogP | 13.25 |
| TPSA | 207.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | |
| Heavy Atoms | 65 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 965.31 |
| LogP ≤ 5 | 13.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The IUPAC name of Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 159400435) is bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole.
What is the SMILES notation for Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The canonical SMILES for Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole is Cc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnoc1C.Cc1cnsc1C.
What is the InChIKey of Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The InChIKey is LNGPUPXRNZPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H7NO.2C5H7NS.3C4H5NO.2C4H5NS/c1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h5*3H,1-2H3;5*2-3H,1H3.
What are the key properties of Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 965.31 g/mol, XLogP of 13.25, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 159400435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159400435 — identifiers, structure, computed properties (public domain)
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