(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C17H13FN4O2 — CID 41014921

IUPAC(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H13FN4O2/c18-12-4-6-13(7-5-12)22-10-11(9-15(22)23)17-20-16(21-24-17)14-3-1-2-8-19-14/h1-8,11H,9-10H2/t11-/m1/s1
InChIKeyKINFPVWJGMJHBZ-LLVKDONJSA-N
MW324.32 g/mol
LogP2.79
Rot. Bonds3

About (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 41014921) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID41014921
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H13FN4O2/c18-12-4-6-13(7-5-12)22-10-11(9-15(22)23)17-20-16(21-24-17)14-3-1-2-8-19-14/h1-8,11H,9-10H2/t11-/m1/s1
InChIKeyKINFPVWJGMJHBZ-LLVKDONJSA-N
XLogP2.79
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16956772
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955929
(4R)-1-(4-fluorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015858
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955927
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955900
(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 42585888
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 46378623
(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492759

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 41014921) is (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1c1ccc(F)cc1.
What is the InChIKey of (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is KINFPVWJGMJHBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-12-4-6-13(7-5-12)22-10-11(9-15(22)23)17-20-16(21-24-17)14-3-1-2-8-19-14/h1-8,11H,9-10H2/t11-/m1/s1.
What are the key properties of (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 324.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 41014921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).