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

C17H20F2N4O2 — CID 95058074

IUPAC(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C17H20F2N4O2/c1-10(2)9-20-17(24)23-7-3-4-14(23)16-21-15(22-25-16)12-6-5-11(18)8-13(12)19/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyPVUHWTIVMZULPD-CQSZACIVSA-N
MW350.37 g/mol
LogP3.52
Rot. Bonds4

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

(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 95058074) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID95058074
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C17H20F2N4O2/c1-10(2)9-20-17(24)23-7-3-4-14(23)16-21-15(22-25-16)12-6-5-11(18)8-13(12)19/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyPVUHWTIVMZULPD-CQSZACIVSA-N
XLogP3.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95058066
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-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 53039551
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95057996
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 53039526
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)-N-(2-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058038
(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]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 95057670
[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 (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 95058074) is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CNC(=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-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is PVUHWTIVMZULPD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-10(2)9-20-17(24)23-7-3-4-14(23)16-21-15(22-25-16)12-6-5-11(18)8-13(12)19/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.52, 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-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95058074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).