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

C23H15Cl2FN4O2 — CID 25130740

IUPAC3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
SMILESCc1ccnc(C)c1-c1nnc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)o1
InChIInChI=1S/C23H15Cl2FN4O2/c1-12-5-6-28-13(2)20(12)23-30-29-19(32-23)9-15-3-4-18(25)22(21(15)26)31-17-8-14(11-27)7-16(24)10-17/h3-8,10H,9H2,1-2H3
InChIKeyOLRFDYPBIITLLB-UHFFFAOYSA-N
MW469.30 g/mol
LogP6.45
Rot. Bonds5

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

3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile (PubChem CID 25130740) has the molecular formula C23H15Cl2FN4O2 and a molecular weight of 469.30 g/mol. Its IUPAC name is 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
PubChem CID25130740
Molecular FormulaC23H15Cl2FN4O2
Molecular Weight469.30 g/mol
Exact Mass468.06
IUPAC Name3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
SMILESCc1ccnc(C)c1-c1nnc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)o1
InChIInChI=1S/C23H15Cl2FN4O2/c1-12-5-6-28-13(2)20(12)23-30-29-19(32-23)9-15-3-4-18(25)22(21(15)26)31-17-8-14(11-27)7-16(24)10-17/h3-8,10H,9H2,1-2H3
InChIKeyOLRFDYPBIITLLB-UHFFFAOYSA-N
XLogP6.45
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.30
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Chlorophenoxy)-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)pyridine
CID 2727151
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-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
3-Chloro-5-[6-chloro-3-[[5-(2-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 25129361
3-Chloro-5-[6-chloro-3-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 25129362
3-Chloro-5-[6-chloro-3-[[5-(4-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 25129706

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
The IUPAC name of 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile (CID 25130740) is 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile is Cc1ccnc(C)c1-c1nnc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)o1.
What is the InChIKey of 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
The InChIKey is OLRFDYPBIITLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2FN4O2/c1-12-5-6-28-13(2)20(12)23-30-29-19(32-23)9-15-3-4-18(25)22(21(15)26)31-17-8-14(11-27)7-16(24)10-17/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
3-chloro-5-[6-chloro-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile has a molecular weight of 469.30 g/mol, XLogP of 6.45, 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-3-[[5-(2,4-dimethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile is sourced from PubChem (CID 25130740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).