4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

C20H26F2N4O3 — CID 124881869

About 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (PubChem CID 124881869) has the molecular formula C20H26F2N4O3 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.

Molecular Properties

• Compound Name: 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
• PubChem CID: 124881869
• Molecular Formula: C20H26F2N4O3
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.20
• IUPAC Name: 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
• SMILES: C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@H](C)O1
• InChI: InChI=1S/C20H26F2N4O3/c1-12-9-26(10-13(2)28-12)20(3,4)11-23-18(27)15-7-5-14(6-8-15)17-24-19(16(21)22)29-25-17/h5-8,12-13,16H,9-11H2,1-4H3,(H,23,27)/t12-,13+
• InChIKey: QRKUIVMOYPLFHK-BETUJISGSA-N
• XLogP: 3.29
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?

The IUPAC name of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (CID 124881869) is 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.

What is the SMILES notation for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?

The canonical SMILES for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@H](C)O1.

What is the InChIKey of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?

The InChIKey is QRKUIVMOYPLFHK-BETUJISGSA-N. The full InChI is InChI=1S/C20H26F2N4O3/c1-12-9-26(10-13(2)28-12)20(3,4)11-23-18(27)15-7-5-14(6-8-15)17-24-19(16(21)22)29-25-17/h5-8,12-13,16H,9-11H2,1-4H3,(H,23,27)/t12-,13+.

What are the key properties of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?

4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide has a molecular weight of 408.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 124881869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).