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

C20H19FN4O2 — CID 95057715

IUPAC(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C20H19FN4O2/c1-13-5-2-8-16(11-13)22-20(26)25-10-4-9-17(25)19-23-18(24-27-19)14-6-3-7-15(21)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyAIOYQGLOZVYOSY-KRWDZBQOSA-N
MW366.40 g/mol
LogP4.55
Rot. Bonds3

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

(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 95057715) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID95057715
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C20H19FN4O2/c1-13-5-2-8-16(11-13)22-20(26)25-10-4-9-17(25)19-23-18(24-27-19)14-6-3-7-15(21)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyAIOYQGLOZVYOSY-KRWDZBQOSA-N
XLogP4.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 5009552
N-(3,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 42765379
(2S)-N-(3,4-dimethylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7271519
(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7288640
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 5001867
(2R)-N-(2,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301895
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802
(2S)-N-(3-bromophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 7481960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 95057715) is (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(F)c3)no2)c1.
What is the InChIKey of (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is AIOYQGLOZVYOSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-5-2-8-16(11-13)22-20(26)25-10-4-9-17(25)19-23-18(24-27-19)14-6-3-7-15(21)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95057715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).