2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

C52H68F2N8O2 — CID 159068577

About 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (PubChem CID 159068577) has the molecular formula C52H68F2N8O2 and a molecular weight of 875.17 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
• PubChem CID: 159068577
• Molecular Formula: C52H68F2N8O2
• Molecular Weight: 875.17 g/mol
• Exact Mass: 874.54
• IUPAC Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
• SMILES: C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ncc(-c2ccc(C(C)(F)F)nc2)cn1.CC(C)(C)Cc1nnc(C2CCC2)o1
• InChI: InChI=1S/C16H19F2N3.C13H16N2O.C12H15N.C11H18N2O/c1-15(2,3)7-14-20-9-12(10-21-14)11-5-6-13(19-8-11)16(4,17)18;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-5-10-7-6-8-11(13-10)9-12(2,3)4;1-11(2,3)7-9-12-13-10(14-9)8-5-4-6-8/h5-6,8-10H,7H2,1-4H3;4-8H,9H2,1-3H3;1,6-8H,9H2,2-4H3;8H,4-7H2,1-3H3
• InChIKey: JZIZCETYUDCPFF-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 129.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.17
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (CID 159068577) is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

What is the SMILES notation for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The canonical SMILES for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole is C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ncc(-c2ccc(C(C)(F)F)nc2)cn1.CC(C)(C)Cc1nnc(C2CCC2)o1.

What is the InChIKey of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The InChIKey is JZIZCETYUDCPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3.C13H16N2O.C12H15N.C11H18N2O/c1-15(2,3)7-14-20-9-12(10-21-14)11-5-6-13(19-8-11)16(4,17)18;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-5-10-7-6-8-11(13-10)9-12(2,3)4;1-11(2,3)7-9-12-13-10(14-9)8-5-4-6-8/h5-6,8-10H,7H2,1-4H3;4-8H,9H2,1-3H3;1,6-8H,9H2,2-4H3;8H,4-7H2,1-3H3.

What are the key properties of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 875.17 g/mol, XLogP of 13.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 159068577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).