3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C35H36Cl2N4O5 — CID 134533167

About 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 134533167) has the molecular formula C35H36Cl2N4O5 and a molecular weight of 663.60 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

• Compound Name: 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
• PubChem CID: 134533167
• Molecular Formula: C35H36Cl2N4O5
• Molecular Weight: 663.60 g/mol
• Exact Mass: 662.21
• IUPAC Name: 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
• SMILES: COCc1ccc(NC(=O)N2C3CCC2CC(OCc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1-c1ccc(OC)nc1
• InChI: InChI=1S/C35H36Cl2N4O5/c1-43-18-22-8-10-23(14-27(22)21-9-13-31(44-2)38-17-21)39-35(42)41-24-11-12-25(41)16-26(15-24)45-19-28-33(40-46-34(28)20-6-7-20)32-29(36)4-3-5-30(32)37/h3-5,8-10,13-14,17,20,24-26H,6-7,11-12,15-16,18-19H2,1-2H3,(H,39,42)
• InChIKey: OPQYLJPRRIADHW-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 98.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.60
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

The IUPAC name of 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 134533167) is 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

What is the SMILES notation for 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

The canonical SMILES for 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is COCc1ccc(NC(=O)N2C3CCC2CC(OCc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1-c1ccc(OC)nc1.

What is the InChIKey of 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

The InChIKey is OPQYLJPRRIADHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36Cl2N4O5/c1-43-18-22-8-10-23(14-27(22)21-9-13-31(44-2)38-17-21)39-35(42)41-24-11-12-25(41)16-26(15-24)45-19-28-33(40-46-34(28)20-6-7-20)32-29(36)4-3-5-30(32)37/h3-5,8-10,13-14,17,20,24-26H,6-7,11-12,15-16,18-19H2,1-2H3,(H,39,42).

What are the key properties of 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 663.60 g/mol, XLogP of 8.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(methoxymethyl)-3-(6-methoxy-3-pyridinyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 134533167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).