N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide

C29H34FN5O4 — CID 155063074

About N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide

N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide (PubChem CID 155063074) has the molecular formula C29H34FN5O4 and a molecular weight of 535.62 g/mol. Its IUPAC name is N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide
• PubChem CID: 155063074
• Molecular Formula: C29H34FN5O4
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.26
• IUPAC Name: N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide
• SMILES: CC(C)(F)c1nc(C23CCC(CN(C(=O)C4CCOCC4)c4cccc(-c5cn[nH]c(=O)c5)c4)(CC2)C3)no1
• InChI: InChI=1S/C29H34FN5O4/c1-27(2,30)26-32-25(34-39-26)29-10-8-28(17-29,9-11-29)18-35(24(37)19-6-12-38-13-7-19)22-5-3-4-20(14-22)21-15-23(36)33-31-16-21/h3-5,14-16,19H,6-13,17-18H2,1-2H3,(H,33,36)
• InChIKey: HXCXFXBUHZQGNA-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 114.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide?

The IUPAC name of N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide (CID 155063074) is N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide.

What is the SMILES notation for N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide?

The canonical SMILES for N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide is CC(C)(F)c1nc(C23CCC(CN(C(=O)C4CCOCC4)c4cccc(-c5cn[nH]c(=O)c5)c4)(CC2)C3)no1.

What is the InChIKey of N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide?

The InChIKey is HXCXFXBUHZQGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O4/c1-27(2,30)26-32-25(34-39-26)29-10-8-28(17-29,9-11-29)18-35(24(37)19-6-12-38-13-7-19)22-5-3-4-20(14-22)21-15-23(36)33-31-16-21/h3-5,14-16,19H,6-13,17-18H2,1-2H3,(H,33,36).

What are the key properties of N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide?

N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide has a molecular weight of 535.62 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-[3-(6-oxo-1H-pyridazin-4-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 155063074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).