3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole

C16H9Cl2F3N2O2 — CID 19326650

IUPAC3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COc1cccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C16H9Cl2F3N2O2/c17-10-4-5-12(13(18)7-10)14-22-15(25-23-14)9-2-1-3-11(6-9)24-8-16(19,20)21/h1-7H,8H2
InChIKeyQXMZQDUZXBKNAY-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.65
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole

3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 19326650) has the molecular formula C16H9Cl2F3N2O2 and a molecular weight of 389.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID19326650
Molecular FormulaC16H9Cl2F3N2O2
Molecular Weight389.16 g/mol
Exact Mass388.00
IUPAC Name3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COc1cccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C16H9Cl2F3N2O2/c17-10-4-5-12(13(18)7-10)14-22-15(25-23-14)9-2-1-3-11(6-9)24-8-16(19,20)21/h1-7H,8H2
InChIKeyQXMZQDUZXBKNAY-UHFFFAOYSA-N
XLogP5.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 19330608
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326649
3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 19330341
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,2,2-trifluoroethoxy)aniline
CID 60537777
5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole (CID 19326650) is 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)COc1cccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is QXMZQDUZXBKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2O2/c17-10-4-5-12(13(18)7-10)14-22-15(25-23-14)9-2-1-3-11(6-9)24-8-16(19,20)21/h1-7H,8H2.
What are the key properties of 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 389.16 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 19326650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).