1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione

C12H9N3O3 — CID 121013526

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H9N3O3/c16-9-6-7-10(17)15(9)12-14-13-11(18-12)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIPXNHHCIABGZNS-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.39
Rot. Bonds2

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione

1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione (PubChem CID 121013526) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione
PubChem CID121013526
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H9N3O3/c16-9-6-7-10(17)15(9)12-14-13-11(18-12)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIPXNHHCIABGZNS-UHFFFAOYSA-N
XLogP1.39
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710808
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204486
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204116
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole
CID 102278029
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
2-benzo[b][1]benzazepin-11-yl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 165411742
(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110416623
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-oxazepan-5-one
CID 72936466

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione (CID 121013526) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is IPXNHHCIABGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-9-6-7-10(17)15(9)12-14-13-11(18-12)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 243.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 121013526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).