tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate

C29H44N2O4 — CID 67983762

About tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 67983762) has the molecular formula C29H44N2O4 and a molecular weight of 484.68 g/mol. Its IUPAC name is tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
• PubChem CID: 67983762
• Molecular Formula: C29H44N2O4
• Molecular Weight: 484.68 g/mol
• Exact Mass: 484.33
• IUPAC Name: tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
• SMILES: CC1C(c2noc(C3CC3)c2COC2CC3CCC(C2)N3C(=O)OC(C)(C)C)CC2CC1C2(C)C
• InChI: InChI=1S/C29H44N2O4/c1-16-22(11-18-12-24(16)29(18,5)6)25-23(26(35-30-25)17-7-8-17)15-33-21-13-19-9-10-20(14-21)31(19)27(32)34-28(2,3)4/h16-22,24H,7-15H2,1-6H3
• InChIKey: VXQHBWSRBUSCMZ-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.68
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?

The IUPAC name of tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 67983762) is tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate.

What is the SMILES notation for tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?

The canonical SMILES for tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate is CC1C(c2noc(C3CC3)c2COC2CC3CCC(C2)N3C(=O)OC(C)(C)C)CC2CC1C2(C)C.

What is the InChIKey of tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?

The InChIKey is VXQHBWSRBUSCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2O4/c1-16-22(11-18-12-24(16)29(18,5)6)25-23(26(35-30-25)17-7-8-17)15-33-21-13-19-9-10-20(14-21)31(19)27(32)34-28(2,3)4/h16-22,24H,7-15H2,1-6H3.

What are the key properties of tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?

tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 484.68 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[5-cyclopropyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 67983762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).