2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol

C16H11Cl2F3N2O2 — CID 66909842

IUPAC2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1c(Cl)cc(C2N=CN(Cc3ccc(C(F)(F)F)cc3)O2)cc1Cl
InChIInChI=1S/C16H11Cl2F3N2O2/c17-12-5-10(6-13(18)14(12)24)15-22-8-23(25-15)7-9-1-3-11(4-2-9)16(19,20)21/h1-6,8,15,24H,7H2
InChIKeyXFOFYAPWFNCCGT-UHFFFAOYSA-N
MW391.18 g/mol
LogP5.19
Rot. Bonds3

About 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol

2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 66909842) has the molecular formula C16H11Cl2F3N2O2 and a molecular weight of 391.18 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
PubChem CID66909842
Molecular FormulaC16H11Cl2F3N2O2
Molecular Weight391.18 g/mol
Exact Mass390.01
IUPAC Name2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1c(Cl)cc(C2N=CN(Cc3ccc(C(F)(F)F)cc3)O2)cc1Cl
InChIInChI=1S/C16H11Cl2F3N2O2/c17-12-5-10(6-13(18)14(12)24)15-22-8-23(25-15)7-9-1-3-11(4-2-9)16(19,20)21/h1-6,8,15,24H,7H2
InChIKeyXFOFYAPWFNCCGT-UHFFFAOYSA-N
XLogP5.19
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.18
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
CID 66909844
2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
CID 66909856
2,6-dichloro-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2,4-oxadiazol-3-yl]phenol
CID 66909901
2,6-dichloro-4-[2-[[3-(trifluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
CID 66909968
2,6-dichloro-4-[2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2,4-oxadiazol-3-yl]phenol
CID 66909992
2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2,4-oxadiazol-5-yl]phenol
CID 136398521
2,6-dichloro-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2,4-oxadiazol-5-yl]phenol
CID 136398522
2,6-dichloro-4-[2-[[2-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-3-yl]phenol
CID 136398525
2,6-dichloro-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-3-yl]phenol
CID 136398530
2,6-dichloro-4-[2-[(3,4-difluorophenyl)methyl]-2-prop-2-enyl-5H-1,2,4-oxadiazol-2-ium-3-yl]phenol
CID 136398534
2,6-dichloro-4-[2-[(4-chlorophenyl)methyl]-2-methyl-5H-1,2,4-oxadiazol-2-ium-5-yl]phenol
CID 87200629
4-[2-benzyl-2-(2-hydroxyethyl)-5H-1,2,4-oxadiazol-2-ium-3-yl]-2,6-dichlorophenol
CID 136398533

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol (CID 66909842) is 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol is Oc1c(Cl)cc(C2N=CN(Cc3ccc(C(F)(F)F)cc3)O2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is XFOFYAPWFNCCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O2/c17-12-5-10(6-13(18)14(12)24)15-22-8-23(25-15)7-9-1-3-11(4-2-9)16(19,20)21/h1-6,8,15,24H,7H2.
What are the key properties of 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 391.18 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 66909842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).