N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide

C32H38F2N4O4 — CID 154683609

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 154683609) has the molecular formula C32H38F2N4O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
• PubChem CID: 154683609
• Molecular Formula: C32H38F2N4O4
• Molecular Weight: 580.68 g/mol
• Exact Mass: 580.29
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
• SMILES: CCOc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCC(F)(F)CC3)c2)o1
• InChI: InChI=1S/C32H38F2N4O4/c1-2-40-29-35-19-25(41-29)23-4-3-5-24(18-23)38(27(39)22-8-10-32(33,34)11-9-22)20-30-12-15-31(16-13-30,17-14-30)28-36-26(37-42-28)21-6-7-21/h3-5,18-19,21-22H,2,6-17,20H2,1H3
• InChIKey: GZUCEMQLYQNXOZ-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 94.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.68
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?

The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide (CID 154683609) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide.

What is the SMILES notation for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?

The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide is CCOc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCC(F)(F)CC3)c2)o1.

What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?

The InChIKey is GZUCEMQLYQNXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N4O4/c1-2-40-29-35-19-25(41-29)23-4-3-5-24(18-23)38(27(39)22-8-10-32(33,34)11-9-22)20-30-12-15-31(16-13-30,17-14-30)28-36-26(37-42-28)21-6-7-21/h3-5,18-19,21-22H,2,6-17,20H2,1H3.

What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 580.68 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 154683609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).