5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one

C11H12N2O4 — CID 67328478

IUPAC5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCCOc1nn(-c2ccccc2OC)c(=O)o1
InChIInChI=1S/C11H12N2O4/c1-3-16-10-12-13(11(14)17-10)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3
InChIKeyBNFZCZRMPSSHII-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.23
Rot. Bonds4

About 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one

5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 67328478) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
PubChem CID67328478
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCCOc1nn(-c2ccccc2OC)c(=O)o1
InChIInChI=1S/C11H12N2O4/c1-3-16-10-12-13(11(14)17-10)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3
InChIKeyBNFZCZRMPSSHII-UHFFFAOYSA-N
XLogP1.23
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one (CID 67328478) is 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one is CCOc1nn(-c2ccccc2OC)c(=O)o1.
What is the InChIKey of 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is BNFZCZRMPSSHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-3-16-10-12-13(11(14)17-10)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one?
5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 236.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 67328478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).