4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one

C23H23N3O2 — CID 154838421

IUPAC4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(c3nc(-c4ccc5c(c4)CCC5)no3)CC2=O)c1C
InChIInChI=1S/C23H23N3O2/c1-14-5-3-8-20(15(14)2)26-13-19(12-21(26)27)23-24-22(25-28-23)18-10-9-16-6-4-7-17(16)11-18/h3,5,8-11,19H,4,6-7,12-13H2,1-2H3
InChIKeyNGQKJCLPDWKUST-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.36
Rot. Bonds3

About 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one

4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one (PubChem CID 154838421) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
PubChem CID154838421
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(c3nc(-c4ccc5c(c4)CCC5)no3)CC2=O)c1C
InChIInChI=1S/C23H23N3O2/c1-14-5-3-8-20(15(14)2)26-13-19(12-21(26)27)23-24-22(25-28-23)18-10-9-16-6-4-7-17(16)11-18/h3,5,8-11,19H,4,6-7,12-13H2,1-2H3
InChIKeyNGQKJCLPDWKUST-UHFFFAOYSA-N
XLogP4.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one (CID 154838421) is 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one is Cc1cccc(N2CC(c3nc(-c4ccc5c(c4)CCC5)no3)CC2=O)c1C.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is NGQKJCLPDWKUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14-5-3-8-20(15(14)2)26-13-19(12-21(26)27)23-24-22(25-28-23)18-10-9-16-6-4-7-17(16)11-18/h3,5,8-11,19H,4,6-7,12-13H2,1-2H3.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 373.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 154838421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).