2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane

C242H370ClF7N18O12 — CID 159029927

About 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane

2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane (PubChem CID 159029927) has the molecular formula C242H370ClF7N18O12 and a molecular weight of 3892.17 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane.

Molecular Properties

• Compound Name: 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane
• PubChem CID: 159029927
• Molecular Formula: C242H370ClF7N18O12
• Molecular Weight: 3892.17 g/mol
• Exact Mass: 3888.85
• IUPAC Name: 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane
• SMILES: C1CC2(C1)CCC2.C1CC2(C1)CNC2.C1CCC2(C1)CCC2.C1CCC2(C1)CCC2.C1CCC2(C1)CNC2.C1CCC2(C1)CNC2.C1CCOCC1.CC.CC(C)(C)Cc1nc(-c2ccccc2)no1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1noc(-c2ccccc2)n1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)F.CCCN(C)c1nc2ccccc2o1.CCl.CF.CF.CF.CF.Cc1ccccc1.Cc1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1
• InChI: InChI=1S/C13H16N2O.3C13H9NO.2C12H14N2O.C11H14N2O.4C8H7NO.2C8H14.2C7H13N.C7H12.2C7H8.C6H11N.C5H10O.13C4H10.C2H3F3.C2H6.CH3Cl.4CH3F/c1-13(2,3)9-11-14-12(15-16-11)10-7-5-4-6-8-10;3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-12(2,3)11-13-10(15-14-11)9-7-5-4-6-8-9;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-3-8-13(2)11-12-9-6-4-5-7-10(9)14-11;4*1-6-9-7-4-2-3-5-8(7)10-6;2*1-2-5-8(4-1)6-3-7-8;2*1-2-4-7(3-1)5-8-6-7;1-3-7(4-1)5-2-6-7;2*1-7-5-3-2-4-6-7;1-2-6(3-1)4-7-5-6;1-2-4-6-5-3-1;13*1-4(2)3;1-2(3,4)5;6*1-2/h4-8H,9H2,1-3H3;3*1-9H;2*4-8H,1-3H3;4-7H,3,8H2,1-2H3;4*2-5H,1H3;2*1-7H2;2*8H,1-6H2;1-6H2;2*2-6H,1H3;7H,1-5H2;1-5H2;13*4H,1-3H3;1H3;1-2H3;5*1H3
• InChIKey: JUTFUVMQWRGJHJ-UHFFFAOYSA-N
• XLogP: 74.54
• TPSA: 373.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3892.17
LogP ≤ 5	74.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane?

The IUPAC name of 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane (CID 159029927) is 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane.

What is the SMILES notation for 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane?

The canonical SMILES for 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane is C1CC2(C1)CCC2.C1CC2(C1)CNC2.C1CCC2(C1)CCC2.C1CCC2(C1)CCC2.C1CCC2(C1)CNC2.C1CCC2(C1)CNC2.C1CCOCC1.CC.CC(C)(C)Cc1nc(-c2ccccc2)no1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1noc(-c2ccccc2)n1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)F.CCCN(C)c1nc2ccccc2o1.CCl.CF.CF.CF.CF.Cc1ccccc1.Cc1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.

What is the InChIKey of 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane?

The InChIKey is JUTFUVMQWRGJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.3C13H9NO.2C12H14N2O.C11H14N2O.4C8H7NO.2C8H14.2C7H13N.C7H12.2C7H8.C6H11N.C5H10O.13C4H10.C2H3F3.C2H6.CH3Cl.4CH3F/c1-13(2,3)9-11-14-12(15-16-11)10-7-5-4-6-8-10;3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-12(2,3)11-13-10(15-14-11)9-7-5-4-6-8-9;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-3-8-13(2)11-12-9-6-4-5-7-10(9)14-11;4*1-6-9-7-4-2-3-5-8(7)10-6;2*1-2-5-8(4-1)6-3-7-8;2*1-2-4-7(3-1)5-8-6-7;1-3-7(4-1)5-2-6-7;2*1-7-5-3-2-4-6-7;1-2-6(3-1)4-7-5-6;1-2-4-6-5-3-1;13*1-4(2)3;1-2(3,4)5;6*1-2/h4-8H,9H2,1-3H3;3*1-9H;2*4-8H,1-3H3;4-7H,3,8H2,1-2H3;4*2-5H,1H3;2*1-7H2;2*8H,1-6H2;1-6H2;2*2-6H,1H3;7H,1-5H2;1-5H2;13*4H,1-3H3;1H3;1-2H3;5*1H3.

What are the key properties of 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane?

2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane has a molecular weight of 3892.17 g/mol, XLogP of 74.54, 10 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane is sourced from PubChem (CID 159029927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).