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

C20H18F2N4O2 — CID 95058016

IUPAC(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C20H18F2N4O2/c1-12-5-2-3-6-16(12)23-20(27)26-10-4-7-17(26)19-24-18(25-28-19)14-9-8-13(21)11-15(14)22/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyAEJUWACMEGSXPG-QGZVFWFLSA-N
MW384.39 g/mol
LogP4.69
Rot. Bonds3

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

(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 95058016) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID95058016
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C20H18F2N4O2/c1-12-5-2-3-6-16(12)23-20(27)26-10-4-7-17(26)19-24-18(25-28-19)14-9-8-13(21)11-15(14)22/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyAEJUWACMEGSXPG-QGZVFWFLSA-N
XLogP4.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058038
N-(2,4-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206199
(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058025
(2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116651
N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206196
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]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 53039533
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 95058070
(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 95058053
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95057996
N-(5-chloro-2-methylphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206190
(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 93016083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 95058016) is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is AEJUWACMEGSXPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12-5-2-3-6-16(12)23-20(27)26-10-4-7-17(26)19-24-18(25-28-19)14-9-8-13(21)11-15(14)22/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 4.69, 3 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-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95058016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).