4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol

C24H13Cl2FN2O2 — CID 135981478

IUPAC4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol
SMILESOc1c(-c2noc(-c3c(F)cccc3Cl)n2)cc(Cl)cc1-c1cccc2ccccc12
InChIInChI=1S/C24H13Cl2FN2O2/c25-14-11-17(16-8-3-6-13-5-1-2-7-15(13)16)22(30)18(12-14)23-28-24(31-29-23)21-19(26)9-4-10-20(21)27/h1-12,30H
InChIKeyJBPXXMXWSGEFCG-UHFFFAOYSA-N
MW451.28 g/mol
LogP7.38
Rot. Bonds3

About 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol

4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol (PubChem CID 135981478) has the molecular formula C24H13Cl2FN2O2 and a molecular weight of 451.28 g/mol. Its IUPAC name is 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol.

Molecular Properties

Compound Name4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol
PubChem CID135981478
Molecular FormulaC24H13Cl2FN2O2
Molecular Weight451.28 g/mol
Exact Mass450.03
IUPAC Name4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol
SMILESOc1c(-c2noc(-c3c(F)cccc3Cl)n2)cc(Cl)cc1-c1cccc2ccccc12
InChIInChI=1S/C24H13Cl2FN2O2/c25-14-11-17(16-8-3-6-13-5-1-2-7-15(13)16)22(30)18(12-14)23-28-24(31-29-23)21-19(26)9-4-10-20(21)27/h1-12,30H
InChIKeyJBPXXMXWSGEFCG-UHFFFAOYSA-N
XLogP7.38
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.28
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)naphthalen-1-ol
CID 166042727
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-6-[2-(trifluoromethyl)phenyl]phenol
CID 157144914
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
4-tert-butyl-2-(3,6-ditert-butylcarbazol-9-yl)-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135981504
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43331560
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008074
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-fluorophenol
CID 137011460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol?
The IUPAC name of 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol (CID 135981478) is 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol.
What is the SMILES notation for 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol?
The canonical SMILES for 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol is Oc1c(-c2noc(-c3c(F)cccc3Cl)n2)cc(Cl)cc1-c1cccc2ccccc12.
What is the InChIKey of 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol?
The InChIKey is JBPXXMXWSGEFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2FN2O2/c25-14-11-17(16-8-3-6-13-5-1-2-7-15(13)16)22(30)18(12-14)23-28-24(31-29-23)21-19(26)9-4-10-20(21)27/h1-12,30H.
What are the key properties of 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol?
4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol has a molecular weight of 451.28 g/mol, XLogP of 7.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-naphthalen-1-ylphenol is sourced from PubChem (CID 135981478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).