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

C25H14Cl2FN5O2 — CID 25130742

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

3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile (PubChem CID 25130742) has the molecular formula C25H14Cl2FN5O2 and a molecular weight of 506.32 g/mol. Its IUPAC name is 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile.

Molecular Properties

• Compound Name: 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
• PubChem CID: 25130742
• Molecular Formula: C25H14Cl2FN5O2
• Molecular Weight: 506.32 g/mol
• Exact Mass: 505.05
• IUPAC Name: 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
• SMILES: Cc1nc2ccncc2cc1-c1nnc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)o1
• InChI: InChI=1S/C25H14Cl2FN5O2/c1-13-19(8-16-12-30-5-4-21(16)31-13)25-33-32-22(35-25)9-15-2-3-20(27)24(23(15)28)34-18-7-14(11-29)6-17(26)10-18/h2-8,10,12H,9H2,1H3
• InChIKey: KNJJMEVREFUBRF-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 97.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.32
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?

The IUPAC name of 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile (CID 25130742) is 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-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-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?

The canonical SMILES for 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile is Cc1nc2ccncc2cc1-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-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?

The InChIKey is KNJJMEVREFUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl2FN5O2/c1-13-19(8-16-12-30-5-4-21(16)31-13)25-33-32-22(35-25)9-15-2-3-20(27)24(23(15)28)34-18-7-14(11-29)6-17(26)10-18/h2-8,10,12H,9H2,1H3.

What are the key properties of 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile?

3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile has a molecular weight of 506.32 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-methyl-1,6-naphthyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile is sourced from PubChem (CID 25130742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).