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

C19H16ClFN4O2 — CID 162674979

IUPAC(2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H16ClFN4O2/c20-13-6-8-15(9-7-13)22-19(26)25-10-2-5-16(25)18-23-17(24-27-18)12-3-1-4-14(21)11-12/h1,3-4,6-9,11,16H,2,5,10H2,(H,22,26)/t16-/m0/s1
InChIKeyYETQQXQLSOWAFF-INIZCTEOSA-N
MW386.81 g/mol
LogP4.90
Rot. Bonds3

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

(2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 162674979) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID162674979
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H16ClFN4O2/c20-13-6-8-15(9-7-13)22-19(26)25-10-2-5-16(25)18-23-17(24-27-18)12-3-1-4-14(21)11-12/h1,3-4,6-9,11,16H,2,5,10H2,(H,22,26)/t16-/m0/s1
InChIKeyYETQQXQLSOWAFF-INIZCTEOSA-N
XLogP4.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 162674979) is (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is YETQQXQLSOWAFF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c20-13-6-8-15(9-7-13)22-19(26)25-10-2-5-16(25)18-23-17(24-27-18)12-3-1-4-14(21)11-12/h1,3-4,6-9,11,16H,2,5,10H2,(H,22,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
(2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 162674979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).