(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

C19H17N3O2 — CID 41014813

IUPAC(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESCc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-7-9-14(10-8-13)18-20-19(24-21-18)15-11-17(23)22(12-15)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3/t15-/m1/s1
InChIKeyFRNDBIIQQIVOTA-OAHLLOKOSA-N
MW319.36 g/mol
LogP3.57
Rot. Bonds3

About (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (PubChem CID 41014813) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
PubChem CID41014813
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESCc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-7-9-14(10-8-13)18-20-19(24-21-18)15-11-17(23)22(12-15)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3/t15-/m1/s1
InChIKeyFRNDBIIQQIVOTA-OAHLLOKOSA-N
XLogP3.57
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823113
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4S)-4-[3-[4-(4-chlorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 92880397
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42891589
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955902
4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 46378623
(4S)-1-(1,3-benzodioxol-5-yl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586113
(4S)-1-(2,4-dimethylphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42585896
(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 95116397

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (CID 41014813) is (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1.
What is the InChIKey of (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is FRNDBIIQQIVOTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-7-9-14(10-8-13)18-20-19(24-21-18)15-11-17(23)22(12-15)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 41014813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).