2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
C67H98F6N10O8S2 — CID 159438867
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1coc(C(F)(F)F)n1.CC(C)c1cocn1.CC(C)c1ncoc1C(F)(F)F.Cc1nc(C(C)C)co1.Cc1nc(C)c(C(C)C)o1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C8H13NO.2C7H8F3NO.2C7H11NO.C7H11NS.3C6H9NO.C6H9NS/c1-5(2)8-6(3)9-7(4)10-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-4(2)5-3-12-6(11-5)7(8,9)10;1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-4-8-6(3)9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6/h5H,1-4H3;2*3-4H,1-2H3;3*4-5H,1-3H3;4*3-5H,1-2H3
InChIKeyLRXPHNMQZLMBBC-UHFFFAOYSA-N
MW1349.70 g/mol
LogP22.50
Rot. Bonds10
About 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 159438867) has the molecular formula C67H98F6N10O8S2 and a molecular weight of 1349.70 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.
Molecular Properties
| Compound Name | 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole |
|---|---|
| PubChem CID | 159438867 |
| Molecular Formula | C67H98F6N10O8S2 |
| Molecular Weight | 1349.70 g/mol |
| Exact Mass | 1348.69 |
| IUPAC Name | 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole |
| SMILES | CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1coc(C(F)(F)F)n1.CC(C)c1cocn1.CC(C)c1ncoc1C(F)(F)F.Cc1nc(C(C)C)co1.Cc1nc(C)c(C(C)C)o1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1 |
| InChI | InChI=1S/C8H13NO.2C7H8F3NO.2C7H11NO.C7H11NS.3C6H9NO.C6H9NS/c1-5(2)8-6(3)9-7(4)10-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-4(2)5-3-12-6(11-5)7(8,9)10;1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-4-8-6(3)9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6/h5H,1-4H3;2*3-4H,1-2H3;3*4-5H,1-3H3;4*3-5H,1-2H3 |
| InChIKey | LRXPHNMQZLMBBC-UHFFFAOYSA-N |
| XLogP | 22.50 |
| TPSA | 234.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 93 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1349.70 |
| LogP ≤ 5 | 22.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (CID 159438867) is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1coc(C(F)(F)F)n1.CC(C)c1cocn1.CC(C)c1ncoc1C(F)(F)F.Cc1nc(C(C)C)co1.Cc1nc(C)c(C(C)C)o1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LRXPHNMQZLMBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.2C7H8F3NO.2C7H11NO.C7H11NS.3C6H9NO.C6H9NS/c1-5(2)8-6(3)9-7(4)10-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-4(2)5-3-12-6(11-5)7(8,9)10;1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-4-8-6(3)9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6/h5H,1-4H3;2*3-4H,1-2H3;3*4-5H,1-3H3;4*3-5H,1-2H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 1349.70 g/mol, XLogP of 22.50, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 159438867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159438867 — identifiers, structure, computed properties (public domain)
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