2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol

C16H12Cl2F2N2O3 — CID 66909856

IUPAC2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1c(Cl)cc(C2N=CN(Cc3cccc(OC(F)F)c3)O2)cc1Cl
InChIInChI=1S/C16H12Cl2F2N2O3/c17-12-5-10(6-13(18)14(12)23)15-21-8-22(25-15)7-9-2-1-3-11(4-9)24-16(19)20/h1-6,8,15-16,23H,7H2
InChIKeyKABKVJCHKVOMLC-UHFFFAOYSA-N
MW389.19 g/mol
LogP4.77
Rot. Bonds5

About 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol

2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 66909856) has the molecular formula C16H12Cl2F2N2O3 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
PubChem CID66909856
Molecular FormulaC16H12Cl2F2N2O3
Molecular Weight389.19 g/mol
Exact Mass388.02
IUPAC Name2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1c(Cl)cc(C2N=CN(Cc3cccc(OC(F)F)c3)O2)cc1Cl
InChIInChI=1S/C16H12Cl2F2N2O3/c17-12-5-10(6-13(18)14(12)23)15-21-8-22(25-15)7-9-2-1-3-11(4-9)24-16(19)20/h1-6,8,15-16,23H,7H2
InChIKeyKABKVJCHKVOMLC-UHFFFAOYSA-N
XLogP4.77
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol (CID 66909856) is 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol is Oc1c(Cl)cc(C2N=CN(Cc3cccc(OC(F)F)c3)O2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is KABKVJCHKVOMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2O3/c17-12-5-10(6-13(18)14(12)23)15-21-8-22(25-15)7-9-2-1-3-11(4-9)24-16(19)20/h1-6,8,15-16,23H,7H2.
What are the key properties of 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol?
2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 389.19 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[2-[[3-(difluoromethoxy)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 66909856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).