4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one

C19H17N3O2 — CID 53183300

IUPAC4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2noc(Cc3ccccc3)n2)CN1c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18-12-15(13-22(18)16-9-5-2-6-10-16)19-20-17(24-21-19)11-14-7-3-1-4-8-14/h1-10,15H,11-13H2
InChIKeyTYKOFZXMISIGTD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.18
Rot. Bonds4

About 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one

4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one (PubChem CID 53183300) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one
PubChem CID53183300
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2noc(Cc3ccccc3)n2)CN1c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18-12-15(13-22(18)16-9-5-2-6-10-16)19-20-17(24-21-19)11-14-7-3-1-4-8-14/h1-10,15H,11-13H2
InChIKeyTYKOFZXMISIGTD-UHFFFAOYSA-N
XLogP3.18
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one (CID 53183300) is 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one is O=C1CC(c2noc(Cc3ccccc3)n2)CN1c1ccccc1.
What is the InChIKey of 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one?
The InChIKey is TYKOFZXMISIGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-12-15(13-22(18)16-9-5-2-6-10-16)19-20-17(24-21-19)11-14-7-3-1-4-8-14/h1-10,15H,11-13H2.
What are the key properties of 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one?
4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 53183300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).