3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide

C12H11F2N3O3 — CID 71781006

IUPAC3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOCCc1nnc(NC(=O)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C12H11F2N3O3/c1-19-5-4-10-16-17-12(20-10)15-11(18)7-2-3-8(13)9(14)6-7/h2-3,6H,4-5H2,1H3,(H,15,17,18)
InChIKeyWLJUSPYRRNGYID-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.79
Rot. Bonds5

About 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide

3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 71781006) has the molecular formula C12H11F2N3O3 and a molecular weight of 283.23 g/mol. Its IUPAC name is 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID71781006
Molecular FormulaC12H11F2N3O3
Molecular Weight283.23 g/mol
Exact Mass283.08
IUPAC Name3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOCCc1nnc(NC(=O)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C12H11F2N3O3/c1-19-5-4-10-16-17-12(20-10)15-11(18)7-2-3-8(13)9(14)6-7/h2-3,6H,4-5H2,1H3,(H,15,17,18)
InChIKeyWLJUSPYRRNGYID-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 71781006) is 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide is COCCc1nnc(NC(=O)c2ccc(F)c(F)c2)o1.
What is the InChIKey of 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WLJUSPYRRNGYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O3/c1-19-5-4-10-16-17-12(20-10)15-11(18)7-2-3-8(13)9(14)6-7/h2-3,6H,4-5H2,1H3,(H,15,17,18).
What are the key properties of 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide?
3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 283.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 71781006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).