4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide

C11H9F2N3O3 — CID 157030847

IUPAC4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nonc1OCC(F)F
InChIInChI=1S/C11H9F2N3O3/c12-8(13)6-18-11-9(15-19-16-11)10(17)14-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,17)
InChIKeyGDKPZMZLQYSHQI-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.97
Rot. Bonds5

About 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide

4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 157030847) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID157030847
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nonc1OCC(F)F
InChIInChI=1S/C11H9F2N3O3/c12-8(13)6-18-11-9(15-19-16-11)10(17)14-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,17)
InChIKeyGDKPZMZLQYSHQI-UHFFFAOYSA-N
XLogP1.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide (CID 157030847) is 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide is O=C(Nc1ccccc1)c1nonc1OCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GDKPZMZLQYSHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c12-8(13)6-18-11-9(15-19-16-11)10(17)14-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,17).
What are the key properties of 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide?
4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 269.21 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-phenyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 157030847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).