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

C19H15N3O4S — CID 4912714

IUPAC3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4O)o3)C2=O)cc1
InChIInChI=1S/C19H15N3O4S/c1-11-6-8-12(9-7-11)22-16(24)10-15(18(22)25)27-19-21-20-17(26-19)13-4-2-3-5-14(13)23/h2-9,15,23H,10H2,1H3
InChIKeyOXZXVNFURBAVMY-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.17
Rot. Bonds4

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

3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 4912714) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID4912714
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4O)o3)C2=O)cc1
InChIInChI=1S/C19H15N3O4S/c1-11-6-8-12(9-7-11)22-16(24)10-15(18(22)25)27-19-21-20-17(26-19)13-4-2-3-5-14(13)23/h2-9,15,23H,10H2,1H3
InChIKeyOXZXVNFURBAVMY-UHFFFAOYSA-N
XLogP3.17
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 4912714) is 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4O)o3)C2=O)cc1.
What is the InChIKey of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is OXZXVNFURBAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-11-6-8-12(9-7-11)22-16(24)10-15(18(22)25)27-19-21-20-17(26-19)13-4-2-3-5-14(13)23/h2-9,15,23H,10H2,1H3.
What are the key properties of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 381.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4912714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).