N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide

C11H7F2N3O4 — CID 20864732

IUPACN-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H7F2N3O4/c1-5-10(16(18)19)9(15-20-5)11(17)14-8-3-2-6(12)4-7(8)13/h2-4H,1H3,(H,14,17)
InChIKeyQPENBBGGNZGVFM-UHFFFAOYSA-N
MW283.19 g/mol
LogP2.42
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide

N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide (PubChem CID 20864732) has the molecular formula C11H7F2N3O4 and a molecular weight of 283.19 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
PubChem CID20864732
Molecular FormulaC11H7F2N3O4
Molecular Weight283.19 g/mol
Exact Mass283.04
IUPAC NameN-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H7F2N3O4/c1-5-10(16(18)19)9(15-20-5)11(17)14-8-3-2-6(12)4-7(8)13/h2-4H,1H3,(H,14,17)
InChIKeyQPENBBGGNZGVFM-UHFFFAOYSA-N
XLogP2.42
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide (CID 20864732) is N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The InChIKey is QPENBBGGNZGVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O4/c1-5-10(16(18)19)9(15-20-5)11(17)14-8-3-2-6(12)4-7(8)13/h2-4H,1H3,(H,14,17).
What are the key properties of N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide has a molecular weight of 283.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20864732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).