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

C19H16FN3O3 — CID 55510174

IUPAC3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1nc(-c2ccc(C)c(F)c2)no1
InChIInChI=1S/C19H16FN3O3/c1-3-24-17-8-13(10-21)5-7-16(17)25-11-18-22-19(23-26-18)14-6-4-12(2)15(20)9-14/h4-9H,3,11H2,1-2H3
InChIKeySAMKDTFQKWCNNP-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.03
Rot. Bonds6

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

3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile (PubChem CID 55510174) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
PubChem CID55510174
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1nc(-c2ccc(C)c(F)c2)no1
InChIInChI=1S/C19H16FN3O3/c1-3-24-17-8-13(10-21)5-7-16(17)25-11-18-22-19(23-26-18)14-6-4-12(2)15(20)9-14/h4-9H,3,11H2,1-2H3
InChIKeySAMKDTFQKWCNNP-UHFFFAOYSA-N
XLogP4.03
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-4-[[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-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 47145059
3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 51331111
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 60722210
2-[2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenoxy]ethanol
CID 78878303
3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 8978525
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
3-(3-fluoro-4-methylphenyl)-5-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86917000
3-ethoxy-4-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 166216900
3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029294
5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 30823965
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55942342
5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112815966

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
The IUPAC name of 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile (CID 55510174) is 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile.
What is the SMILES notation for 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
The canonical SMILES for 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile is CCOc1cc(C#N)ccc1OCc1nc(-c2ccc(C)c(F)c2)no1.
What is the InChIKey of 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
The InChIKey is SAMKDTFQKWCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-3-24-17-8-13(10-21)5-7-16(17)25-11-18-22-19(23-26-18)14-6-4-12(2)15(20)9-14/h4-9H,3,11H2,1-2H3.
What are the key properties of 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile?
3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile has a molecular weight of 353.35 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile is sourced from PubChem (CID 55510174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).