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

C10H8F2N2O2 — CID 110655553

IUPAC2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C10H8F2N2O2/c1-6-13-14-10(16-6)5-15-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3
InChIKeyOMGAXNYXQKZMPN-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.24
Rot. Bonds3

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

2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 110655553) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID110655553
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C10H8F2N2O2/c1-6-13-14-10(16-6)5-15-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3
InChIKeyOMGAXNYXQKZMPN-UHFFFAOYSA-N
XLogP2.24
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole (CID 110655553) is 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(COc2ccc(F)cc2F)o1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is OMGAXNYXQKZMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-6-13-14-10(16-6)5-15-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3.
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 226.18 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110655553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).