3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C18H8Cl2F3N3O2 — CID 68828420

IUPAC3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(-c3cc(-c4c(Cl)cccc4Cl)no3)cc2)no1
InChIInChI=1S/C18H8Cl2F3N3O2/c19-11-2-1-3-12(20)15(11)13-8-14(27-25-13)9-4-6-10(7-5-9)16-24-17(28-26-16)18(21,22)23/h1-8H
InChIKeyXDGUYDVLZGJUAF-UHFFFAOYSA-N
MW426.18 g/mol
LogP6.38
Rot. Bonds3

About 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 68828420) has the molecular formula C18H8Cl2F3N3O2 and a molecular weight of 426.18 g/mol. Its IUPAC name is 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID68828420
Molecular FormulaC18H8Cl2F3N3O2
Molecular Weight426.18 g/mol
Exact Mass424.99
IUPAC Name3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(-c3cc(-c4c(Cl)cccc4Cl)no3)cc2)no1
InChIInChI=1S/C18H8Cl2F3N3O2/c19-11-2-1-3-12(20)15(11)13-8-14(27-25-13)9-4-6-10(7-5-9)16-24-17(28-26-16)18(21,22)23/h1-8H
InChIKeyXDGUYDVLZGJUAF-UHFFFAOYSA-N
XLogP6.38
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.18
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(dichloromethyl)-3-[4-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]-1,2,4-oxadiazole
CID 87593116
2-(2,6-dichlorophenyl)sulfanyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193360
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 75420058
2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid
CID 90675654
2-(2,6-dichlorophenoxy)-1-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155708494
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543
3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 4658635
3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328646
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine
CID 152734484
2-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]acetic acid
CID 67881091

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 68828420) is 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccc(-c3cc(-c4c(Cl)cccc4Cl)no3)cc2)no1.
What is the InChIKey of 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is XDGUYDVLZGJUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2F3N3O2/c19-11-2-1-3-12(20)15(11)13-8-14(27-25-13)9-4-6-10(7-5-9)16-24-17(28-26-16)18(21,22)23/h1-8H.
What are the key properties of 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 426.18 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 68828420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).