2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C11H9F2N3O3 — CID 19582150

IUPAC2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C11H9F2N3O3/c12-9(13)11-15-10(16-19-11)6-1-3-7(4-2-6)18-5-8(14)17/h1-4,9H,5H2,(H2,14,17)
InChIKeyIRUPMECVKPARRH-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.54
Rot. Bonds5

About 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19582150) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19582150
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C11H9F2N3O3/c12-9(13)11-15-10(16-19-11)6-1-3-7(4-2-6)18-5-8(14)17/h1-4,9H,5H2,(H2,14,17)
InChIKeyIRUPMECVKPARRH-UHFFFAOYSA-N
XLogP1.54
TPSA91.24 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328716
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678876
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
2-[4-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328690
2-[4-[5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328449
2-[4-[5-[1-(5-methyl-3-nitropyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328729

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19582150) is 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is NC(=O)COc1ccc(-c2noc(C(F)F)n2)cc1.
What is the InChIKey of 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is IRUPMECVKPARRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c12-9(13)11-15-10(16-19-11)6-1-3-7(4-2-6)18-5-8(14)17/h1-4,9H,5H2,(H2,14,17).
What are the key properties of 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 269.21 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19582150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).