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

C18H13N3O4S — CID 2963431

IUPAC3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H13N3O4S/c22-13-9-5-4-8-12(13)16-19-20-18(25-16)26-14-10-15(23)21(17(14)24)11-6-2-1-3-7-11/h1-9,14,22H,10H2
InChIKeyLVJLMFNHFSOLJO-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.87
Rot. Bonds4

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

3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2963431) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione
PubChem CID2963431
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC Name3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H13N3O4S/c22-13-9-5-4-8-12(13)16-19-20-18(25-16)26-14-10-15(23)21(17(14)24)11-6-2-1-3-7-11/h1-9,14,22H,10H2
InChIKeyLVJLMFNHFSOLJO-UHFFFAOYSA-N
XLogP2.87
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2905372
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 1289607
N-(4-iodophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4041866
N-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4274089
N-(2-Fluorophenyl)-2-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetamide
CID 5018404
Cambridge id 6584266
CID 2903904
1-(2-Methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 661736
3-{[5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 4912714
1-(4-Bromophenyl)-3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)pyrrolidine-2,5-dione
CID 5124087
2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide
CID 856387
3-[[2-[[5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-methylbenzoic acid
CID 136245289
2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(o-tolyl)propanamide
CID 3126867

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione (CID 2963431) is 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione is O=C1CC(Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is LVJLMFNHFSOLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c22-13-9-5-4-8-12(13)16-19-20-18(25-16)26-14-10-15(23)21(17(14)24)11-6-2-1-3-7-11/h1-9,14,22H,10H2.
What are the key properties of 3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione?
3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 367.39 g/mol, XLogP of 2.87, 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-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2963431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).