4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide

C9H5F2N5O4 — CID 81310187

IUPAC4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H5F2N5O4/c10-3-1-4(11)6(5(2-3)16(18)19)13-9(17)7-8(12)15-20-14-7/h1-2H,(H2,12,15)(H,13,17)
InChIKeyUMHRJUUAUYOEMH-UHFFFAOYSA-N
MW285.17 g/mol
LogP1.09
Rot. Bonds3

About 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 81310187) has the molecular formula C9H5F2N5O4 and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID81310187
Molecular FormulaC9H5F2N5O4
Molecular Weight285.17 g/mol
Exact Mass285.03
IUPAC Name4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H5F2N5O4/c10-3-1-4(11)6(5(2-3)16(18)19)13-9(17)7-8(12)15-20-14-7/h1-2H,(H2,12,15)(H,13,17)
InChIKeyUMHRJUUAUYOEMH-UHFFFAOYSA-N
XLogP1.09
TPSA137.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
CID 81306494
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
CID 107962301
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
CID 81311489
3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
CID 81310802

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide (CID 81310187) is 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UMHRJUUAUYOEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N5O4/c10-3-1-4(11)6(5(2-3)16(18)19)13-9(17)7-8(12)15-20-14-7/h1-2H,(H2,12,15)(H,13,17).
What are the key properties of 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 285.17 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 81310187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).