N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide

C24H23F3N4O4 — CID 46376822

About N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide

N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 46376822) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 46376822
• Molecular Formula: C24H23F3N4O4
• Molecular Weight: 488.47 g/mol
• Exact Mass: 488.17
• IUPAC Name: N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide
• SMILES: CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C24H23F3N4O4/c1-30(22(32)17-6-8-19(9-7-17)24(25,26)27)11-10-20-28-21(35-29-20)16-2-4-18(5-3-16)23(33)31-12-14-34-15-13-31/h2-9H,10-15H2,1H3
• InChIKey: HLBSVKGMGXXFDM-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 88.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.47
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide (CID 46376822) is N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide is CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide?

The InChIKey is HLBSVKGMGXXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-30(22(32)17-6-8-19(9-7-17)24(25,26)27)11-10-20-28-21(35-29-20)16-2-4-18(5-3-16)23(33)31-12-14-34-15-13-31/h2-9H,10-15H2,1H3.

What are the key properties of N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide?

N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 46376822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).