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

C16H14N2O4 — CID 18184758

IUPAC5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1
InChIInChI=1S/C16H14N2O4/c1-2-20-15-17-18(16(19)22-15)12-7-6-10-14(11-12)21-13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChIKeyOPUUTKNZIZBSCJ-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.02
Rot. Bonds5

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

5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 18184758) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one
PubChem CID18184758
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1
InChIInChI=1S/C16H14N2O4/c1-2-20-15-17-18(16(19)22-15)12-7-6-10-14(11-12)21-13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChIKeyOPUUTKNZIZBSCJ-UHFFFAOYSA-N
XLogP3.02
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one (CID 18184758) is 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one is CCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1.
What is the InChIKey of 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is OPUUTKNZIZBSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-2-20-15-17-18(16(19)22-15)12-7-6-10-14(11-12)21-13-8-4-3-5-9-13/h3-11H,2H2,1H3.
What are the key properties of 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 298.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18184758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).