3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile

C17H12FN3O2 — CID 51331111

IUPAC3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
SMILESCc1ccc(-c2noc(COc3cccc(C#N)c3)n2)cc1F
InChIInChI=1S/C17H12FN3O2/c1-11-5-6-13(8-15(11)18)17-20-16(23-21-17)10-22-14-4-2-3-12(7-14)9-19/h2-8H,10H2,1H3
InChIKeyPUUXTQGRVSQWDB-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.63
Rot. Bonds4

About 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile

3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile (PubChem CID 51331111) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
PubChem CID51331111
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
SMILESCc1ccc(-c2noc(COc3cccc(C#N)c3)n2)cc1F
InChIInChI=1S/C17H12FN3O2/c1-11-5-6-13(8-15(11)18)17-20-16(23-21-17)10-22-14-4-2-3-12(7-14)9-19/h2-8H,10H2,1H3
InChIKeyPUUXTQGRVSQWDB-UHFFFAOYSA-N
XLogP3.63
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-fluoro-4-methylphenyl)-5-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86917000
3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 55510174
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
2-[2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenoxy]ethanol
CID 78878303
4-[3-[3-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 46044016
5-[(3,4-dimethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 807858
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 78952632
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 46511581
3-(3-bromophenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 8895415
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
The IUPAC name of 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile (CID 51331111) is 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
The canonical SMILES for 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile is Cc1ccc(-c2noc(COc3cccc(C#N)c3)n2)cc1F.
What is the InChIKey of 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
The InChIKey is PUUXTQGRVSQWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-11-5-6-13(8-15(11)18)17-20-16(23-21-17)10-22-14-4-2-3-12(7-14)9-19/h2-8H,10H2,1H3.
What are the key properties of 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile has a molecular weight of 309.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile is sourced from PubChem (CID 51331111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).