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

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Related Compounds

2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62213585
2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 5133168
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490164
2-[(2R)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490163
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62213931
5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 62213336
N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 166247490
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane
CID 2311165
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438

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).