3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile

C22H13Cl2FN4O2 — CID 25130405

IUPAC3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
SMILESCc1ncccc1-c1nnc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)o1
InChIInChI=1S/C22H13Cl2FN4O2/c1-12-17(3-2-6-27-12)22-29-28-19(31-22)9-14-4-5-18(24)21(20(14)25)30-16-8-13(11-26)7-15(23)10-16/h2-8,10H,9H2,1H3
InChIKeyXIKALLOFPDWCLN-UHFFFAOYSA-N
MW455.28 g/mol
LogP6.14
Rot. Bonds5

About 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile

3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile (PubChem CID 25130405) has the molecular formula C22H13Cl2FN4O2 and a molecular weight of 455.28 g/mol. Its IUPAC name is 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
PubChem CID25130405
Molecular FormulaC22H13Cl2FN4O2
Molecular Weight455.28 g/mol
Exact Mass454.04
IUPAC Name3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
SMILESCc1ncccc1-c1nnc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)o1
InChIInChI=1S/C22H13Cl2FN4O2/c1-12-17(3-2-6-27-12)22-29-28-19(31-22)9-14-4-5-18(24)21(20(14)25)30-16-8-13(11-26)7-15(23)10-16/h2-8,10H,9H2,1H3
InChIKeyXIKALLOFPDWCLN-UHFFFAOYSA-N
XLogP6.14
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.28
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]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

2-(4-Chlorophenoxy)-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)pyridine
CID 2727151
[3-[[4-Chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxopyridazin-1-yl]methyl pyridine-3-carboxylate;hydrochloride
CID 49797496
2-[6-(4-Chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 2727174
3-Chloro-5-[6-chloro-2-fluoro-3-[[5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 25110641
3-Chloro-5-[6-chloro-2-fluoro-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]phenoxy]benzonitrile
CID 25129002
3-Chloro-5-[6-chloro-2-fluoro-3-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]phenoxy]benzonitrile
CID 25129003
3-Chloro-5-[6-chloro-2-fluoro-3-[[5-(4-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 25129004
3-chloro-5-[6-chloro-2-fluoro-3-[[5-(1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 25129005
3-chloro-5-[6-chloro-2-fluoro-3-[[5-(1H-indol-6-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 25129006
3-Chloro-5-[6-chloro-3-[[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 25129358
3-Chloro-5-[6-chloro-3-[[5-(2-chloro-6-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 25129359
3-Chloro-5-[6-chloro-2-fluoro-3-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 25129360

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?
The IUPAC name of 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile (CID 25130405) is 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile is Cc1ncccc1-c1nnc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)o1.
What is the InChIKey of 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?
The InChIKey is XIKALLOFPDWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN4O2/c1-12-17(3-2-6-27-12)22-29-28-19(31-22)9-14-4-5-18(24)21(20(14)25)30-16-8-13(11-26)7-15(23)10-16/h2-8,10H,9H2,1H3.
What are the key properties of 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?
3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile has a molecular weight of 455.28 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile is sourced from PubChem (CID 25130405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).