1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole

C53H83FN8O2S2 — CID 159378018

About 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole

1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 159378018) has the molecular formula C53H83FN8O2S2 and a molecular weight of 947.43 g/mol. Its IUPAC name is 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
• PubChem CID: 159378018
• Molecular Formula: C53H83FN8O2S2
• Molecular Weight: 947.43 g/mol
• Exact Mass: 946.61
• IUPAC Name: 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(F)cc1.CC(C)c1nccs1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)on1.Cc1ncsc1C(C)C
• InChI: InChI=1S/C9H11F.C9H15NO.C8H14N2.C7H12N2.C7H11NO.C7H11NS.C6H9NS/c1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-7(3)10(4)9-8;2*1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-7-3-4-8-6/h3-7H,1-2H3;5-7H,1-4H3;5-6H,1-4H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3
• InChIKey: LKOGJNJXTXMFAQ-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 124.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	947.43
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole (CID 159378018) is 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole is CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(F)cc1.CC(C)c1nccs1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)on1.Cc1ncsc1C(C)C.

What is the InChIKey of 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?

The InChIKey is LKOGJNJXTXMFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C9H15NO.C8H14N2.C7H12N2.C7H11NO.C7H11NS.C6H9NS/c1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-7(3)10(4)9-8;2*1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-7-3-4-8-6/h3-7H,1-2H3;5-7H,1-4H3;5-6H,1-4H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3.

What are the key properties of 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?

1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 947.43 g/mol, XLogP of 16.51, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159378018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).