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

C18H16F2N4O3 — CID 53039551

IUPAC2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C18H16F2N4O3/c19-11-5-6-13(14(20)9-11)16-22-17(27-23-16)15-4-1-7-24(15)18(25)21-10-12-3-2-8-26-12/h2-3,5-6,8-9,15H,1,4,7,10H2,(H,21,25)
InChIKeyJETIDHVZPUNYJY-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.65
Rot. Bonds4

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

2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 53039551) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID53039551
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C18H16F2N4O3/c19-11-5-6-13(14(20)9-11)16-22-17(27-23-16)15-4-1-7-24(15)18(25)21-10-12-3-2-8-26-12/h2-3,5-6,8-9,15H,1,4,7,10H2,(H,21,25)
InChIKeyJETIDHVZPUNYJY-UHFFFAOYSA-N
XLogP3.65
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-methylpropyl)pyrrolidine-1-carboxamide
CID 95058074
(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-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 53039533
(2R)-N-(2-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058038
cyclopentyl-[(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057646
(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
(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058025
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 53039526
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide (CID 53039551) is 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccco1)N1CCCC1c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is JETIDHVZPUNYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c19-11-5-6-13(14(20)9-11)16-22-17(27-23-16)15-4-1-7-24(15)18(25)21-10-12-3-2-8-26-12/h2-3,5-6,8-9,15H,1,4,7,10H2,(H,21,25).
What are the key properties of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).