5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one

C15H12N2O2 — CID 12518891

IUPAC5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15-17(13-9-5-2-6-10-13)16-14(19-15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyMMPCCBGRZYLQGA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.42
Rot. Bonds3

About 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one

5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 12518891) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one
PubChem CID12518891
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15-17(13-9-5-2-6-10-13)16-14(19-15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyMMPCCBGRZYLQGA-UHFFFAOYSA-N
XLogP2.42
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one (CID 12518891) is 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one is O=c1oc(Cc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is MMPCCBGRZYLQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-17(13-9-5-2-6-10-13)16-14(19-15)11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one?
5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 12518891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).