5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide

C26H20F3N5O3 — CID 165117348

IUPAC5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C26H20F3N5O3/c27-26(28,29)20-7-3-17(4-8-20)23-32-25(37-33-23)18-5-9-21(10-6-18)31-24(36)19-12-22(35)34(15-19)14-16-2-1-11-30-13-16/h1-11,13,19H,12,14-15H2,(H,31,36)
InChIKeyPTWLEAFJJLZTMA-UHFFFAOYSA-N
MW507.47 g/mol
LogP4.80
Rot. Bonds6

About 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide

5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 165117348) has the molecular formula C26H20F3N5O3 and a molecular weight of 507.47 g/mol. Its IUPAC name is 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide
PubChem CID165117348
Molecular FormulaC26H20F3N5O3
Molecular Weight507.47 g/mol
Exact Mass507.15
IUPAC Name5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C26H20F3N5O3/c27-26(28,29)20-7-3-17(4-8-20)23-32-25(37-33-23)18-5-9-21(10-6-18)31-24(36)19-12-22(35)34(15-19)14-16-2-1-11-30-13-16/h1-11,13,19H,12,14-15H2,(H,31,36)
InChIKeyPTWLEAFJJLZTMA-UHFFFAOYSA-N
XLogP4.80
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide (CID 165117348) is 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PTWLEAFJJLZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O3/c27-26(28,29)20-7-3-17(4-8-20)23-32-25(37-33-23)18-5-9-21(10-6-18)31-24(36)19-12-22(35)34(15-19)14-16-2-1-11-30-13-16/h1-11,13,19H,12,14-15H2,(H,31,36).
What are the key properties of 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 507.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 165117348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).