2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole

C20H20N2O3 — CID 126817969

IUPAC2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccccc2OCc2nnc(C3CCCCO3)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-2-8-15(9-3-1)16-10-4-5-11-17(16)24-14-19-21-22-20(25-19)18-12-6-7-13-23-18/h1-5,8-11,18H,6-7,12-14H2
InChIKeyFSHMHFIXOKEVGR-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.56
Rot. Bonds5

About 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole

2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 126817969) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID126817969
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccccc2OCc2nnc(C3CCCCO3)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-2-8-15(9-3-1)16-10-4-5-11-17(16)24-14-19-21-22-20(25-19)18-12-6-7-13-23-18/h1-5,8-11,18H,6-7,12-14H2
InChIKeyFSHMHFIXOKEVGR-UHFFFAOYSA-N
XLogP4.56
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole 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 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole (CID 126817969) is 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole is c1ccc(-c2ccccc2OCc2nnc(C3CCCCO3)o2)cc1.
What is the InChIKey of 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is FSHMHFIXOKEVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-8-15(9-3-1)16-10-4-5-11-17(16)24-14-19-21-22-20(25-19)18-12-6-7-13-23-18/h1-5,8-11,18H,6-7,12-14H2.
What are the key properties of 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole?
2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 336.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 126817969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).