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

C18H13N3O3S — CID 2903904

IUPAC1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnc(-c3ccccc3)o2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H13N3O3S/c22-15-11-14(17(23)21(15)13-9-5-2-6-10-13)25-18-20-19-16(24-18)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyGCPJHIQICJCBRB-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.16
Rot. Bonds4

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

1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione (PubChem CID 2903904) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
PubChem CID2903904
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnc(-c3ccccc3)o2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H13N3O3S/c22-15-11-14(17(23)21(15)13-9-5-2-6-10-13)25-18-20-19-16(24-18)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyGCPJHIQICJCBRB-UHFFFAOYSA-N
XLogP3.16
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione (CID 2903904) is 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione is O=C1CC(Sc2nnc(-c3ccccc3)o2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The InChIKey is GCPJHIQICJCBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-15-11-14(17(23)21(15)13-9-5-2-6-10-13)25-18-20-19-16(24-18)12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione has a molecular weight of 351.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2903904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).