3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole

C16H11ClF2N2O2 — CID 146097169

IUPAC3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole
SMILESFC(F)(c1ccccc1)c1nc(COc2ccccc2Cl)no1
InChIInChI=1S/C16H11ClF2N2O2/c17-12-8-4-5-9-13(12)22-10-14-20-15(23-21-14)16(18,19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDIWPGLLEDVUUTR-UHFFFAOYSA-N
MW336.73 g/mol
LogP4.44
Rot. Bonds5

About 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole

3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole (PubChem CID 146097169) has the molecular formula C16H11ClF2N2O2 and a molecular weight of 336.73 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole
PubChem CID146097169
Molecular FormulaC16H11ClF2N2O2
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole
SMILESFC(F)(c1ccccc1)c1nc(COc2ccccc2Cl)no1
InChIInChI=1S/C16H11ClF2N2O2/c17-12-8-4-5-9-13(12)22-10-14-20-15(23-21-14)16(18,19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDIWPGLLEDVUUTR-UHFFFAOYSA-N
XLogP4.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 54.44
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-[difluoro(phenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole (CID 146097169) is 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole is FC(F)(c1ccccc1)c1nc(COc2ccccc2Cl)no1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is DIWPGLLEDVUUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O2/c17-12-8-4-5-9-13(12)22-10-14-20-15(23-21-14)16(18,19)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole?
3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 336.73 g/mol, XLogP of 4.44, 5 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-[difluoro(phenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146097169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).