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

C10H8F2N2O — CID 58824785

IUPAC3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C10H8F2N2O/c1-6-13-10(14-15-6)4-7-2-3-8(11)5-9(7)12/h2-3,5H,4H2,1H3
InChIKeyLVHMWBFWORGMDK-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.25
Rot. Bonds2

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

3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 58824785) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID58824785
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C10H8F2N2O/c1-6-13-10(14-15-6)4-7-2-3-8(11)5-9(7)12/h2-3,5H,4H2,1H3
InChIKeyLVHMWBFWORGMDK-UHFFFAOYSA-N
XLogP2.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole (CID 58824785) is 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cc2ccc(F)cc2F)no1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is LVHMWBFWORGMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-6-13-10(14-15-6)4-7-2-3-8(11)5-9(7)12/h2-3,5H,4H2,1H3.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 210.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 58824785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).