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

C26H19F3N4O3 — CID 92870351

IUPAC(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C26H19F3N4O3/c27-26(28,29)19-9-5-11-21(14-19)33-15-18(13-22(33)34)24(35)30-20-10-4-8-17(12-20)25-31-23(32-36-25)16-6-2-1-3-7-16/h1-12,14,18H,13,15H2,(H,30,35)/t18-/m0/s1
InChIKeyZIUCLCSRVFQRME-SFHVURJKSA-N
MW492.46 g/mol
LogP5.41
Rot. Bonds5

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

(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 92870351) has the molecular formula C26H19F3N4O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID92870351
Molecular FormulaC26H19F3N4O3
Molecular Weight492.46 g/mol
Exact Mass492.14
IUPAC Name(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C26H19F3N4O3/c27-26(28,29)19-9-5-11-21(14-19)33-15-18(13-22(33)34)24(35)30-20-10-4-8-17(12-20)25-31-23(32-36-25)16-6-2-1-3-7-16/h1-12,14,18H,13,15H2,(H,30,35)/t18-/m0/s1
InChIKeyZIUCLCSRVFQRME-SFHVURJKSA-N
XLogP5.41
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 94081056
(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92703522
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46321739
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46266865
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
(3R)-1-(4-bromophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1109938
(3S)-5-oxo-N-(2-oxochromen-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42571043
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 92870351) is (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZIUCLCSRVFQRME-SFHVURJKSA-N. The full InChI is InChI=1S/C26H19F3N4O3/c27-26(28,29)19-9-5-11-21(14-19)33-15-18(13-22(33)34)24(35)30-20-10-4-8-17(12-20)25-31-23(32-36-25)16-6-2-1-3-7-16/h1-12,14,18H,13,15H2,(H,30,35)/t18-/m0/s1.
What are the key properties of (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92870351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).