2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C12H11F2N3O3 — CID 90649370

IUPAC2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CNC(=O)COc2ccc(F)cc2F)o1
InChIInChI=1S/C12H11F2N3O3/c1-7-16-17-12(20-7)5-15-11(18)6-19-10-3-2-8(13)4-9(10)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyMZFRBHXDJICCGX-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.35
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 90649370) has the molecular formula C12H11F2N3O3 and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID90649370
Molecular FormulaC12H11F2N3O3
Molecular Weight283.23 g/mol
Exact Mass283.08
IUPAC Name2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CNC(=O)COc2ccc(F)cc2F)o1
InChIInChI=1S/C12H11F2N3O3/c1-7-16-17-12(20-7)5-15-11(18)6-19-10-3-2-8(13)4-9(10)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyMZFRBHXDJICCGX-UHFFFAOYSA-N
XLogP1.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 90649370) is 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is Cc1nnc(CNC(=O)COc2ccc(F)cc2F)o1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is MZFRBHXDJICCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O3/c1-7-16-17-12(20-7)5-15-11(18)6-19-10-3-2-8(13)4-9(10)14/h2-4H,5-6H2,1H3,(H,15,18).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 283.23 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 90649370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).