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

C19H15ClF2N4O2 — CID 53039513

IUPACN-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C19H15ClF2N4O2/c20-11-3-1-4-13(9-11)23-19(27)26-8-2-5-16(26)18-24-17(25-28-18)14-7-6-12(21)10-15(14)22/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,23,27)
InChIKeyPCXBJYFUHRSZIO-UHFFFAOYSA-N
MW404.80 g/mol
LogP5.04
Rot. Bonds3

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

N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 53039513) has the molecular formula C19H15ClF2N4O2 and a molecular weight of 404.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID53039513
Molecular FormulaC19H15ClF2N4O2
Molecular Weight404.80 g/mol
Exact Mass404.09
IUPAC NameN-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C19H15ClF2N4O2/c20-11-3-1-4-13(9-11)23-19(27)26-8-2-5-16(26)18-24-17(25-28-18)14-7-6-12(21)10-15(14)22/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,23,27)
InChIKeyPCXBJYFUHRSZIO-UHFFFAOYSA-N
XLogP5.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.80
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 53039513) is N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is PCXBJYFUHRSZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O2/c20-11-3-1-4-13(9-11)23-19(27)26-8-2-5-16(26)18-24-17(25-28-18)14-7-6-12(21)10-15(14)22/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,23,27).
What are the key properties of N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 404.80 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).