3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide

C25H22F3N5O5 — CID 53496094

About 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide

3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 53496094) has the molecular formula C25H22F3N5O5 and a molecular weight of 529.48 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

• Compound Name: 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide
• PubChem CID: 53496094
• Molecular Formula: C25H22F3N5O5
• Molecular Weight: 529.48 g/mol
• Exact Mass: 529.16
• IUPAC Name: 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide
• SMILES: CN(C)C(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
• InChI: InChI=1S/C25H22F3N5O5/c1-33(2)17(34)12-13-29-23(36)20(35)15-8-10-16(11-9-15)22-30-24(38-32-22)21-18(25(26,27)28)19(31-37-21)14-6-4-3-5-7-14/h3-11,20,35H,12-13H2,1-2H3,(H,29,36)
• InChIKey: IUOMDBKIOVJSGI-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 134.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide?

The IUPAC name of 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide (CID 53496094) is 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide.

What is the SMILES notation for 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide?

The canonical SMILES for 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.

What is the InChIKey of 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide?

The InChIKey is IUOMDBKIOVJSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O5/c1-33(2)17(34)12-13-29-23(36)20(35)15-8-10-16(11-9-15)22-30-24(38-32-22)21-18(25(26,27)28)19(31-37-21)14-6-4-3-5-7-14/h3-11,20,35H,12-13H2,1-2H3,(H,29,36).

What are the key properties of 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide?

3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 529.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 53496094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).