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

C19H15N3O3S — CID 661736

IUPAC1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1N1C(=O)CC(Sc2nnc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C19H15N3O3S/c1-12-7-5-6-10-14(12)22-16(23)11-15(18(22)24)26-19-21-20-17(25-19)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyOMRMVTBAHXDHNA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.47
Rot. Bonds4

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

1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione (PubChem CID 661736) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
PubChem CID661736
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1N1C(=O)CC(Sc2nnc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C19H15N3O3S/c1-12-7-5-6-10-14(12)22-16(23)11-15(18(22)24)26-19-21-20-17(25-19)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyOMRMVTBAHXDHNA-UHFFFAOYSA-N
XLogP3.47
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione (CID 661736) is 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione is Cc1ccccc1N1C(=O)CC(Sc2nnc(-c3ccccc3)o2)C1=O.
What is the InChIKey of 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The InChIKey is OMRMVTBAHXDHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-12-7-5-6-10-14(12)22-16(23)11-15(18(22)24)26-19-21-20-17(25-19)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione has a molecular weight of 365.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 661736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).