2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane

C92H138F8N12O2 — CID 161314933

About 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane (PubChem CID 161314933) has the molecular formula C92H138F8N12O2 and a molecular weight of 1596.18 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane.

Molecular Properties

• Compound Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane
• PubChem CID: 161314933
• Molecular Formula: C92H138F8N12O2
• Molecular Weight: 1596.18 g/mol
• Exact Mass: 1595.09
• IUPAC Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane
• SMILES: C.C.C.C.C.C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccc(C(C)(F)F)nc1.CC(C)(C)Cc1cccc(C(C)(F)F)n1.CC(C)(C)Cc1ncc(-c2ccc(C(C)(F)F)nc2)cn1.CC(C)(C)Cc1nccc(C(C)(F)F)n1.CC(C)(C)Cc1nnc(C2CCC2)o1
• InChI: InChI=1S/C16H19F2N3.C13H16N2O.2C12H17F2N.C12H15N.C11H16F2N2.C11H18N2O.5CH4/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;1-11(2,3)7-9-5-6-10(15-8-9)12(4,13)14;1-11(2,3)8-9-6-5-7-10(15-9)12(4,13)14;1-5-10-7-6-8-11(13-10)9-12(2,3)4;1-10(2,3)7-9-14-6-5-8(15-9)11(4,12)13;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;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;1,6-8H,9H2,2-4H3;5-6H,7H2,1-4H3;8H,4-7H2,1-3H3;5*1H4
• InChIKey: VJJIOCBPOTXLPB-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 180.96 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.18
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane?

The IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane (CID 161314933) is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane.

What is the SMILES notation for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane?

The canonical SMILES for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane is C.C.C.C.C.C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccc(C(C)(F)F)nc1.CC(C)(C)Cc1cccc(C(C)(F)F)n1.CC(C)(C)Cc1ncc(-c2ccc(C(C)(F)F)nc2)cn1.CC(C)(C)Cc1nccc(C(C)(F)F)n1.CC(C)(C)Cc1nnc(C2CCC2)o1.

What is the InChIKey of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane?

The InChIKey is VJJIOCBPOTXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3.C13H16N2O.2C12H17F2N.C12H15N.C11H16F2N2.C11H18N2O.5CH4/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;1-11(2,3)7-9-5-6-10(15-8-9)12(4,13)14;1-11(2,3)8-9-6-5-7-10(15-9)12(4,13)14;1-5-10-7-6-8-11(13-10)9-12(2,3)4;1-10(2,3)7-9-14-6-5-8(15-9)11(4,12)13;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;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;1,6-8H,9H2,2-4H3;5-6H,7H2,1-4H3;8H,4-7H2,1-3H3;5*1H4.

What are the key properties of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane?

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane has a molecular weight of 1596.18 g/mol, XLogP of 27.06, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;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;methane is sourced from PubChem (CID 161314933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).