N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide

C14H14F2N4O3 — CID 71849855

IUPACN-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide
SMILESCC(C)c1nnc(CON=CC(=O)Nc2ccc(F)cc2F)o1
InChIInChI=1S/C14H14F2N4O3/c1-8(2)14-20-19-13(23-14)7-22-17-6-12(21)18-11-4-3-9(15)5-10(11)16/h3-6,8H,7H2,1-2H3,(H,18,21)
InChIKeyLNAWWWAQBPOJNU-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.61
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide

N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide (PubChem CID 71849855) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide
PubChem CID71849855
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC NameN-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide
SMILESCC(C)c1nnc(CON=CC(=O)Nc2ccc(F)cc2F)o1
InChIInChI=1S/C14H14F2N4O3/c1-8(2)14-20-19-13(23-14)7-22-17-6-12(21)18-11-4-3-9(15)5-10(11)16/h3-6,8H,7H2,1-2H3,(H,18,21)
InChIKeyLNAWWWAQBPOJNU-UHFFFAOYSA-N
XLogP2.61
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]acetamide
CID 76865743
3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
CID 76865752
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60528918
(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide
CID 75404376
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55871035
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 55870520
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(3-iodophenyl)propanamide
CID 55871164
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55870389
4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
CID 75364546
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
methyl 2-[[2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55871295
N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide
CID 60528886

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide (CID 71849855) is N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide is CC(C)c1nnc(CON=CC(=O)Nc2ccc(F)cc2F)o1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide?
The InChIKey is LNAWWWAQBPOJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c1-8(2)14-20-19-13(23-14)7-22-17-6-12(21)18-11-4-3-9(15)5-10(11)16/h3-6,8H,7H2,1-2H3,(H,18,21).
What are the key properties of N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide?
N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide has a molecular weight of 324.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide is sourced from PubChem (CID 71849855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).