3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile

C27H12Cl3F4N3O3 — CID 87723554

IUPAC3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2c(Cl)ccc(Cc3nnc(-c4cc(-c5ccccc5Cl)oc4C(F)(F)F)o3)c2F)c1
InChIInChI=1S/C27H12Cl3F4N3O3/c28-15-7-13(12-35)8-16(10-15)38-24-20(30)6-5-14(23(24)31)9-22-36-37-26(40-22)18-11-21(39-25(18)27(32,33)34)17-3-1-2-4-19(17)29/h1-8,10-11H,9H2
InChIKeyDWXHHOJKRSICGO-UHFFFAOYSA-N
MW608.76 g/mol
LogP9.37
Rot. Bonds6

About 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile

3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile (PubChem CID 87723554) has the molecular formula C27H12Cl3F4N3O3 and a molecular weight of 608.76 g/mol. Its IUPAC name is 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
PubChem CID87723554
Molecular FormulaC27H12Cl3F4N3O3
Molecular Weight608.76 g/mol
Exact Mass606.99
IUPAC Name3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2c(Cl)ccc(Cc3nnc(-c4cc(-c5ccccc5Cl)oc4C(F)(F)F)o3)c2F)c1
InChIInChI=1S/C27H12Cl3F4N3O3/c28-15-7-13(12-35)8-16(10-15)38-24-20(30)6-5-14(23(24)31)9-22-36-37-26(40-22)18-11-21(39-25(18)27(32,33)34)17-3-1-2-4-19(17)29/h1-8,10-11H,9H2
InChIKeyDWXHHOJKRSICGO-UHFFFAOYSA-N
XLogP9.37
TPSA85.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.76
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-chloro-2-fluorophenoxy]-5-chlorobenzonitrile
CID 25153226
3-chloro-5-[6-chloro-2-fluoro-3-[[5-(2-fluoro-3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 25151807
3-chloro-5-[6-chloro-3-[[5-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 87723774
3-chloro-5-[6-chloro-2-fluoro-3-[[5-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 87723641
3-chloro-5-[6-chloro-3-[[5-(3,5-dichloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 69175553
3-chloro-5-[6-chloro-2-fluoro-3-[[5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 69175214
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-(5-chloro-2-methylsulfanyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 69175705
3-[3-[[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-chloro-2-fluorophenoxy]-5-chlorobenzonitrile
CID 25153018
3-chloro-5-[6-chloro-3-[[5-(5-chloro-2-phenylpyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 69175576
3-chloro-5-[6-chloro-3-[[5-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 69175554
3-chloro-5-[6-chloro-2-fluoro-3-[[5-[5-[hydroxy(oxido)amino]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 163591325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
The IUPAC name of 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile (CID 87723554) is 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile is N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(Cc3nnc(-c4cc(-c5ccccc5Cl)oc4C(F)(F)F)o3)c2F)c1.
What is the InChIKey of 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
The InChIKey is DWXHHOJKRSICGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H12Cl3F4N3O3/c28-15-7-13(12-35)8-16(10-15)38-24-20(30)6-5-14(23(24)31)9-22-36-37-26(40-22)18-11-21(39-25(18)27(32,33)34)17-3-1-2-4-19(17)29/h1-8,10-11H,9H2.
What are the key properties of 3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile?
3-chloro-5-[6-chloro-3-[[5-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile has a molecular weight of 608.76 g/mol, XLogP of 9.37, 6 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-[5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile is sourced from PubChem (CID 87723554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).