(3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide

C23H24F3N5O2 — CID 154989725

About (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide

(3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide (PubChem CID 154989725) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide
• PubChem CID: 154989725
• Molecular Formula: C23H24F3N5O2
• Molecular Weight: 459.47 g/mol
• Exact Mass: 459.19
• IUPAC Name: (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide
• SMILES: C[C@@H]1CN(C(=O)N(c2ccccc2)c2ccc(-c3nnc(C(F)(F)F)o3)cc2)C[C@H](C)N1C
• InChI: InChI=1S/C23H24F3N5O2/c1-15-13-30(14-16(2)29(15)3)22(32)31(18-7-5-4-6-8-18)19-11-9-17(10-12-19)20-27-28-21(33-20)23(24,25)26/h4-12,15-16H,13-14H2,1-3H3/t15-,16+
• InChIKey: ONIZYWFXDRUZPK-IYBDPMFKSA-N
• XLogP: 5.04
• TPSA: 65.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.47
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide?

The IUPAC name of (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide (CID 154989725) is (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide.

What is the SMILES notation for (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide?

The canonical SMILES for (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide is C[C@@H]1CN(C(=O)N(c2ccccc2)c2ccc(-c3nnc(C(F)(F)F)o3)cc2)C[C@H](C)N1C.

What is the InChIKey of (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide?

The InChIKey is ONIZYWFXDRUZPK-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-15-13-30(14-16(2)29(15)3)22(32)31(18-7-5-4-6-8-18)19-11-9-17(10-12-19)20-27-28-21(33-20)23(24,25)26/h4-12,15-16H,13-14H2,1-3H3/t15-,16+.

What are the key properties of (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide?

(3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 154989725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).