3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

C15H9ClF2N2O2 — CID 42692478

IUPAC3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1nc(COc2ccccc2Cl)no1
InChIInChI=1S/C15H9ClF2N2O2/c16-9-4-1-2-7-12(9)21-8-13-19-15(22-20-13)14-10(17)5-3-6-11(14)18/h1-7H,8H2
InChIKeyCVDMIIIANLMBCI-UHFFFAOYSA-N
MW322.70 g/mol
LogP4.25
Rot. Bonds4

About 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 42692478) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
PubChem CID42692478
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1nc(COc2ccccc2Cl)no1
InChIInChI=1S/C15H9ClF2N2O2/c16-9-4-1-2-7-12(9)21-8-13-19-15(22-20-13)14-10(17)5-3-6-11(14)18/h1-7H,8H2
InChIKeyCVDMIIIANLMBCI-UHFFFAOYSA-N
XLogP4.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole (CID 42692478) is 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole is Fc1cccc(F)c1-c1nc(COc2ccccc2Cl)no1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is CVDMIIIANLMBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c16-9-4-1-2-7-12(9)21-8-13-19-15(22-20-13)14-10(17)5-3-6-11(14)18/h1-7H,8H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 322.70 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42692478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).