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

C11H12N2O3 — CID 13488173

IUPAC3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one
SMILESCCOc1nn(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C11H12N2O3/c1-2-15-10-12-13(11(14)16-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyCZAHQLBYQIFISL-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.28
Rot. Bonds4

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

3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one (PubChem CID 13488173) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one
PubChem CID13488173
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one
SMILESCCOc1nn(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C11H12N2O3/c1-2-15-10-12-13(11(14)16-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyCZAHQLBYQIFISL-UHFFFAOYSA-N
XLogP1.28
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one (CID 13488173) is 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one is CCOc1nn(Cc2ccccc2)c(=O)o1.
What is the InChIKey of 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one?
The InChIKey is CZAHQLBYQIFISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-15-10-12-13(11(14)16-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one?
3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one has a molecular weight of 220.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 13488173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).