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

C16H18F2N4O2 — CID 95058070

IUPAC(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C16H18F2N4O2/c1-9(2)19-16(23)22-7-3-4-13(22)15-20-14(21-24-15)11-6-5-10(17)8-12(11)18/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyZZZBVNWKELNDNF-CYBMUJFWSA-N
MW336.34 g/mol
LogP3.27
Rot. Bonds3

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

(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 95058070) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID95058070
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C16H18F2N4O2/c1-9(2)19-16(23)22-7-3-4-13(22)15-20-14(21-24-15)11-6-5-10(17)8-12(11)18/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyZZZBVNWKELNDNF-CYBMUJFWSA-N
XLogP3.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.27
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-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 95058074
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
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
(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
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
[(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-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 53039551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 95058070) is (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=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-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is ZZZBVNWKELNDNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-9(2)19-16(23)22-7-3-4-13(22)15-20-14(21-24-15)11-6-5-10(17)8-12(11)18/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 3.27, 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-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95058070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).