tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate

C24H23F3N4O4 — CID 138749152

IUPACtert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)N(c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H23F3N4O4/c1-23(2,3)34-22(33)30-13-18(15-7-5-4-6-8-15)31(19(32)14-30)17-11-9-16(10-12-17)20-28-21(35-29-20)24(25,26)27/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1
InChIKeyQBDDQMSJFDUJPX-SFHVURJKSA-N
MW488.47 g/mol
LogP5.08
Rot. Bonds3

About tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate

tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate (PubChem CID 138749152) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
PubChem CID138749152
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Nametert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)N(c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H23F3N4O4/c1-23(2,3)34-22(33)30-13-18(15-7-5-4-6-8-15)31(19(32)14-30)17-11-9-16(10-12-17)20-28-21(35-29-20)24(25,26)27/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1
InChIKeyQBDDQMSJFDUJPX-SFHVURJKSA-N
XLogP5.08
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate (CID 138749152) is tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=O)N(c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H](c2ccccc2)C1.
What is the InChIKey of tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate?
The InChIKey is QBDDQMSJFDUJPX-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-23(2,3)34-22(33)30-13-18(15-7-5-4-6-8-15)31(19(32)14-30)17-11-9-16(10-12-17)20-28-21(35-29-20)24(25,26)27/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate?
tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate has a molecular weight of 488.47 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-3-oxo-5-phenyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 138749152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).