3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole

C19H11Cl2FN2O3 — CID 19326495

IUPAC3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
SMILESFc1ccc(OCc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)cc1
InChIInChI=1S/C19H11Cl2FN2O3/c20-11-1-7-15(16(21)9-11)18-23-19(27-24-18)17-8-6-14(26-17)10-25-13-4-2-12(22)3-5-13/h1-9H,10H2
InChIKeyGSGBNEKQDOCIGI-UHFFFAOYSA-N
MW405.21 g/mol
LogP6.02
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole

3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole (PubChem CID 19326495) has the molecular formula C19H11Cl2FN2O3 and a molecular weight of 405.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
PubChem CID19326495
Molecular FormulaC19H11Cl2FN2O3
Molecular Weight405.21 g/mol
Exact Mass404.01
IUPAC Name3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
SMILESFc1ccc(OCc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)cc1
InChIInChI=1S/C19H11Cl2FN2O3/c20-11-1-7-15(16(21)9-11)18-23-19(27-24-18)17-8-6-14(26-17)10-25-13-4-2-12(22)3-5-13/h1-9H,10H2
InChIKeyGSGBNEKQDOCIGI-UHFFFAOYSA-N
XLogP6.02
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.21
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dichlorophenyl)-5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326555
5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326589
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
1-[4-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methoxy]phenyl]ethanone
CID 19326322
3-(5-chloro-2-methoxyphenyl)-5-[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19332642
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326466
5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
3-(4-fluorophenyl)-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19324674

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole (CID 19326495) is 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole is Fc1ccc(OCc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
The InChIKey is GSGBNEKQDOCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN2O3/c20-11-1-7-15(16(21)9-11)18-23-19(27-24-18)17-8-6-14(26-17)10-25-13-4-2-12(22)3-5-13/h1-9H,10H2.
What are the key properties of 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 405.21 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19326495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).