5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole

C21H22FN3O2 — CID 157474141

IUPAC5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)cc4)n3)cc2)C1
InChIInChI=1S/C21H22FN3O2/c1-15-12-25(13-15)14-16-2-4-17(5-3-16)20-23-21(27-24-20)18-6-8-19(9-7-18)26-11-10-22/h2-9,15H,10-14H2,1H3
InChIKeySAFPXVDZCYKFTO-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.20
Rot. Bonds7

About 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole

5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole (PubChem CID 157474141) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
PubChem CID157474141
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)cc4)n3)cc2)C1
InChIInChI=1S/C21H22FN3O2/c1-15-12-25(13-15)14-16-2-4-17(5-3-16)20-23-21(27-24-20)18-6-8-19(9-7-18)26-11-10-22/h2-9,15H,10-14H2,1H3
InChIKeySAFPXVDZCYKFTO-UHFFFAOYSA-N
XLogP4.20
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-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 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole (CID 157474141) is 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole is CC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)cc4)n3)cc2)C1.
What is the InChIKey of 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is SAFPXVDZCYKFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-12-25(13-15)14-16-2-4-17(5-3-16)20-23-21(27-24-20)18-6-8-19(9-7-18)26-11-10-22/h2-9,15H,10-14H2,1H3.
What are the key properties of 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 367.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157474141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).