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

C23H19Cl3N2O3 — CID 19326589

IUPAC5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(OCc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)c(C(C)C)cc1Cl
InChIInChI=1S/C23H19Cl3N2O3/c1-12(2)17-10-18(25)13(3)8-21(17)29-11-15-5-7-20(30-15)23-27-22(28-31-23)16-6-4-14(24)9-19(16)26/h4-10,12H,11H2,1-3H3
InChIKeyRCOXDHBNCARZIJ-UHFFFAOYSA-N
MW477.78 g/mol
LogP7.97
Rot. Bonds6

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

5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 19326589) has the molecular formula C23H19Cl3N2O3 and a molecular weight of 477.78 g/mol. Its IUPAC name is 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID19326589
Molecular FormulaC23H19Cl3N2O3
Molecular Weight477.78 g/mol
Exact Mass476.05
IUPAC Name5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(OCc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)c(C(C)C)cc1Cl
InChIInChI=1S/C23H19Cl3N2O3/c1-12(2)17-10-18(25)13(3)8-21(17)29-11-15-5-7-20(30-15)23-27-22(28-31-23)16-6-4-14(24)9-19(16)26/h4-10,12H,11H2,1-3H3
InChIKeyRCOXDHBNCARZIJ-UHFFFAOYSA-N
XLogP7.97
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326495
3-(2,4-dichlorophenyl)-5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326555
3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326466
3-(5-chloro-2-methoxyphenyl)-5-[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19332642
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxylate
CID 7015019
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326649
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19448658
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19448655
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324535
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19447010

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 19326589) is 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Cc1cc(OCc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)c(C(C)C)cc1Cl.
What is the InChIKey of 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is RCOXDHBNCARZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N2O3/c1-12(2)17-10-18(25)13(3)8-21(17)29-11-15-5-7-20(30-15)23-27-22(28-31-23)16-6-4-14(24)9-19(16)26/h4-10,12H,11H2,1-3H3.
What are the key properties of 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 477.78 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).