5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one

C17H16N2O4 — CID 72714182

IUPAC5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(C)c2ccc(Oc3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C17H16N2O4/c1-12(19-17(20)23-16(18-19)21-2)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyZRNLKAYHCWFJNL-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.25
Rot. Bonds5

About 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one

5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 72714182) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID72714182
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(C)c2ccc(Oc3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C17H16N2O4/c1-12(19-17(20)23-16(18-19)21-2)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyZRNLKAYHCWFJNL-UHFFFAOYSA-N
XLogP3.25
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one (CID 72714182) is 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one is COc1nn(C(C)c2ccc(Oc3ccccc3)cc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is ZRNLKAYHCWFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12(19-17(20)23-16(18-19)21-2)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 312.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 72714182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).