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

C10H10N2O3 — CID 72710930

IUPAC3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCOc1nn(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C10H10N2O3/c1-14-9-11-12(10(13)15-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAUPZIALIBFKSKF-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.89
Rot. Bonds3

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

3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one (PubChem CID 72710930) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one
PubChem CID72710930
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCOc1nn(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C10H10N2O3/c1-14-9-11-12(10(13)15-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAUPZIALIBFKSKF-UHFFFAOYSA-N
XLogP0.89
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one (CID 72710930) is 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one is COc1nn(Cc2ccccc2)c(=O)o1.
What is the InChIKey of 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one?
The InChIKey is AUPZIALIBFKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-9-11-12(10(13)15-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one?
3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methoxy-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 72710930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).