2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane

C108H139ClN10O2 — CID 158005435

About 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane

2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 158005435) has the molecular formula C108H139ClN10O2 and a molecular weight of 1644.82 g/mol. Its IUPAC name is 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane
• PubChem CID: 158005435
• Molecular Formula: C108H139ClN10O2
• Molecular Weight: 1644.82 g/mol
• Exact Mass: 1643.08
• IUPAC Name: 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane
• SMILES: CC(C)(C)C1C2CN(c3cccc(-c4ccncc4)c3)CC21.CC(C)(C)C1C2CN(c3cccc(-c4cnco4)c3)CC21.CC(C)(C)C1C2CN(c3cccc(-c4ncco4)c3)CC21.Cc1cc(Cl)cc(N2CC3C(C2)C3C(C)(C)C)c1.Cc1ccc(N2CC3C(C2)C3C(C)(C)C)cc1.Cn1ccc(-c2cccc(N3CC4C(C3)C4C(C)(C)C)c2)c1
• InChI: InChI=1S/C20H26N2.C20H24N2.2C18H22N2O.C16H22ClN.C16H23N/c1-20(2,3)19-17-12-22(13-18(17)19)16-7-5-6-14(10-16)15-8-9-21(4)11-15;1-20(2,3)19-17-12-22(13-18(17)19)16-6-4-5-15(11-16)14-7-9-21-10-8-14;1-18(2,3)17-14-9-20(10-15(14)17)13-6-4-5-12(7-13)16-8-19-11-21-16;1-18(2,3)16-14-10-20(11-15(14)16)13-6-4-5-12(9-13)17-19-7-8-21-17;1-10-5-11(17)7-12(6-10)18-8-13-14(9-18)15(13)16(2,3)4;1-11-5-7-12(8-6-11)17-9-13-14(10-17)15(13)16(2,3)4/h5-11,17-19H,12-13H2,1-4H3;4-11,17-19H,12-13H2,1-3H3;4-8,11,14-15,17H,9-10H2,1-3H3;4-9,14-16H,10-11H2,1-3H3;5-7,13-15H,8-9H2,1-4H3;5-8,13-15H,9-10H2,1-4H3
• InChIKey: FEFULAFJRPXVCG-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 89.32 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.82
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane?

The IUPAC name of 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane (CID 158005435) is 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane.

What is the SMILES notation for 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane?

The canonical SMILES for 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane is CC(C)(C)C1C2CN(c3cccc(-c4ccncc4)c3)CC21.CC(C)(C)C1C2CN(c3cccc(-c4cnco4)c3)CC21.CC(C)(C)C1C2CN(c3cccc(-c4ncco4)c3)CC21.Cc1cc(Cl)cc(N2CC3C(C2)C3C(C)(C)C)c1.Cc1ccc(N2CC3C(C2)C3C(C)(C)C)cc1.Cn1ccc(-c2cccc(N3CC4C(C3)C4C(C)(C)C)c2)c1.

What is the InChIKey of 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane?

The InChIKey is FEFULAFJRPXVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.C20H24N2.2C18H22N2O.C16H22ClN.C16H23N/c1-20(2,3)19-17-12-22(13-18(17)19)16-7-5-6-14(10-16)15-8-9-21(4)11-15;1-20(2,3)19-17-12-22(13-18(17)19)16-6-4-5-15(11-16)14-7-9-21-10-8-14;1-18(2,3)17-14-9-20(10-15(14)17)13-6-4-5-12(7-13)16-8-19-11-21-16;1-18(2,3)16-14-10-20(11-15(14)16)13-6-4-5-12(9-13)17-19-7-8-21-17;1-10-5-11(17)7-12(6-10)18-8-13-14(9-18)15(13)16(2,3)4;1-11-5-7-12(8-6-11)17-9-13-14(10-17)15(13)16(2,3)4/h5-11,17-19H,12-13H2,1-4H3;4-11,17-19H,12-13H2,1-3H3;4-8,11,14-15,17H,9-10H2,1-3H3;4-9,14-16H,10-11H2,1-3H3;5-7,13-15H,8-9H2,1-4H3;5-8,13-15H,9-10H2,1-4H3.

What are the key properties of 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane?

2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 1644.82 g/mol, XLogP of 25.14, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-pyridin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 158005435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).