N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

C20H18F2N4O4 — CID 95057637

IUPACN-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C20H18F2N4O4/c1-11(23-18(27)16-5-3-9-29-16)20(28)26-8-2-4-15(26)19-24-17(25-30-19)13-7-6-12(21)10-14(13)22/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,23,27)/t11-,15-/m1/s1
InChIKeyZMZJYPGNXPZICP-IAQYHMDHSA-N
MW416.38 g/mol
LogP3.09
Rot. Bonds5

About N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 95057637) has the molecular formula C20H18F2N4O4 and a molecular weight of 416.38 g/mol. Its IUPAC name is N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID95057637
Molecular FormulaC20H18F2N4O4
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC NameN-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C20H18F2N4O4/c1-11(23-18(27)16-5-3-9-29-16)20(28)26-8-2-4-15(26)19-24-17(25-30-19)13-7-6-12(21)10-14(13)22/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,23,27)/t11-,15-/m1/s1
InChIKeyZMZJYPGNXPZICP-IAQYHMDHSA-N
XLogP3.09
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 95058070
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 53039551
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 95058074
cyclopentyl-[(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057646
[(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 95057670
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 53039533
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95058066
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 95058016
(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
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 53039526
[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 53039347

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 95057637) is N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is ZMZJYPGNXPZICP-IAQYHMDHSA-N. The full InChI is InChI=1S/C20H18F2N4O4/c1-11(23-18(27)16-5-3-9-29-16)20(28)26-8-2-4-15(26)19-24-17(25-30-19)13-7-6-12(21)10-14(13)22/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,23,27)/t11-,15-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 95057637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).