(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C20H15F2N5O2 — CID 95058083

IUPAC(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c1
InChIInChI=1S/C20H15F2N5O2/c21-13-6-7-15(16(22)10-13)18-25-19(29-26-18)17-5-2-8-27(17)20(28)24-14-4-1-3-12(9-14)11-23/h1,3-4,6-7,9-10,17H,2,5,8H2,(H,24,28)/t17-/m0/s1
InChIKeyXDGNANCARFYZHB-KRWDZBQOSA-N
MW395.37 g/mol
LogP4.26
Rot. Bonds3

About (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 95058083) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID95058083
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c1
InChIInChI=1S/C20H15F2N5O2/c21-13-6-7-15(16(22)10-13)18-25-19(29-26-18)17-5-2-8-27(17)20(28)24-14-4-1-3-12(9-14)11-23/h1,3-4,6-7,9-10,17H,2,5,8H2,(H,24,28)/t17-/m0/s1
InChIKeyXDGNANCARFYZHB-KRWDZBQOSA-N
XLogP4.26
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 53039533
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 53039526
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95057996
(2R)-N-(2-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058038
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 95058016
(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058025
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 95058070
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2R)-N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057843

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 95058083) is (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is XDGNANCARFYZHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-13-6-7-15(16(22)10-13)18-25-19(29-26-18)17-5-2-8-27(17)20(28)24-14-4-1-3-12(9-14)11-23/h1,3-4,6-7,9-10,17H,2,5,8H2,(H,24,28)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95058083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).