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

C18H16N4O2 — CID 51894139

IUPAC(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1Cc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-16-10-14(12-22(16)11-13-6-2-1-3-7-13)18-20-17(21-24-18)15-8-4-5-9-19-15/h1-9,14H,10-12H2/t14-/m1/s1
InChIKeyVITKFQBKLNIMTP-CQSZACIVSA-N
MW320.35 g/mol
LogP2.65
Rot. Bonds4

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

(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 51894139) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID51894139
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1Cc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-16-10-14(12-22(16)11-13-6-2-1-3-7-13)18-20-17(21-24-18)15-8-4-5-9-19-15/h1-9,14H,10-12H2/t14-/m1/s1
InChIKeyVITKFQBKLNIMTP-CQSZACIVSA-N
XLogP2.65
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263
(4R)-4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97452777
4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 72910573
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
CID 120850151
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 136516267
(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 42585888
(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 95186482
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
(4R)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97434734
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 166253742
1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 71689643

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 51894139) is (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1Cc1ccccc1.
What is the InChIKey of (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is VITKFQBKLNIMTP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-16-10-14(12-22(16)11-13-6-2-1-3-7-13)18-20-17(21-24-18)15-8-4-5-9-19-15/h1-9,14H,10-12H2/t14-/m1/s1.
What are the key properties of (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 51894139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).