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

C21H20F2N4O2 — CID 95057996

IUPAC(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)cc1
InChIInChI=1S/C21H20F2N4O2/c1-2-13-5-8-15(9-6-13)24-21(28)27-11-3-4-18(27)20-25-19(26-29-20)16-10-7-14(22)12-17(16)23/h5-10,12,18H,2-4,11H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyWXEFDNIATYQYKV-GOSISDBHSA-N
MW398.41 g/mol
LogP4.95
Rot. Bonds4

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

(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 95057996) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
PubChem CID95057996
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)cc1
InChIInChI=1S/C21H20F2N4O2/c1-2-13-5-8-15(9-6-13)24-21(28)27-11-3-4-18(27)20-25-19(26-29-20)16-10-7-14(22)12-17(16)23/h5-10,12,18H,2-4,11H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyWXEFDNIATYQYKV-GOSISDBHSA-N
XLogP4.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 53039533
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 53039526
(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-propan-2-ylpyrrolidine-1-carboxamide
CID 95058070
N-(4-ethylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 3608714
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 95058016
(2R)-N-(2-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058038
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 95058074
(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058083
cyclopentyl-[(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057646
(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058025
(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 95058053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide (CID 95057996) is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)cc1.
What is the InChIKey of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is WXEFDNIATYQYKV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-2-13-5-8-15(9-6-13)24-21(28)27-11-3-4-18(27)20-25-19(26-29-20)16-10-7-14(22)12-17(16)23/h5-10,12,18H,2-4,11H2,1H3,(H,24,28)/t18-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide?
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95057996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).