5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C15H18N2O3 — CID 72919183

IUPAC5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(CCc2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-18-13-5-2-11(3-6-13)4-7-14-16-15(17-20-14)12-8-9-19-10-12/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyNWQGAEROFVIGPH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.37
Rot. Bonds5

About 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72919183) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72919183
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(CCc2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-18-13-5-2-11(3-6-13)4-7-14-16-15(17-20-14)12-8-9-19-10-12/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyNWQGAEROFVIGPH-UHFFFAOYSA-N
XLogP2.37
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72875211
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911667
3-[(3S)-oxolan-3-yl]-5-[3-(4-propan-2-ylphenyl)propyl]-1,2,4-oxadiazole
CID 97436367
5-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97435565
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
3-(2-methoxyphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97443372
3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72891945
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72919183) is 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is COc1ccc(CCc2nc(C3CCOC3)no2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is NWQGAEROFVIGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-18-13-5-2-11(3-6-13)4-7-14-16-15(17-20-14)12-8-9-19-10-12/h2-3,5-6,12H,4,7-10H2,1H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72919183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).