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

C20H19N3O2 — CID 124728087

IUPAC(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one
SMILESCc1nnc(-c2ccc(C[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)o1
InChIInChI=1S/C20H19N3O2/c1-14-21-22-20(25-14)17-9-7-15(8-10-17)11-16-12-19(24)23(13-16)18-5-3-2-4-6-18/h2-10,16H,11-13H2,1H3/t16-/m1/s1
InChIKeyIPZIAWUXPHKZTD-MRXNPFEDSA-N
MW333.39 g/mol
LogP3.64
Rot. Bonds4

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

(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 124728087) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one
PubChem CID124728087
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one
SMILESCc1nnc(-c2ccc(C[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)o1
InChIInChI=1S/C20H19N3O2/c1-14-21-22-20(25-14)17-9-7-15(8-10-17)11-16-12-19(24)23(13-16)18-5-3-2-4-6-18/h2-10,16H,11-13H2,1H3/t16-/m1/s1
InChIKeyIPZIAWUXPHKZTD-MRXNPFEDSA-N
XLogP3.64
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one with MolForge

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Related Compounds

4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 91772946
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72861028
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 91836308
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
2-(2-methoxyphenoxy)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918272
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one (CID 124728087) is (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one is Cc1nnc(-c2ccc(C[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)o1.
What is the InChIKey of (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is IPZIAWUXPHKZTD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-21-22-20(25-14)17-9-7-15(8-10-17)11-16-12-19(24)23(13-16)18-5-3-2-4-6-18/h2-10,16H,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one?
(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 124728087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).