2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide

C11H9FN4O4 — CID 56801772

IUPAC2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide
SMILESCc1noc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H9FN4O4/c1-6-14-10(20-15-6)5-13-11(17)8-3-2-7(16(18)19)4-9(8)12/h2-4H,5H2,1H3,(H,13,17)
InChIKeyWQJUSQLYJHAHLG-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.36
Rot. Bonds4

About 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide

2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide (PubChem CID 56801772) has the molecular formula C11H9FN4O4 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide
PubChem CID56801772
Molecular FormulaC11H9FN4O4
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide
SMILESCc1noc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H9FN4O4/c1-6-14-10(20-15-6)5-13-11(17)8-3-2-7(16(18)19)4-9(8)12/h2-4H,5H2,1H3,(H,13,17)
InChIKeyWQJUSQLYJHAHLG-UHFFFAOYSA-N
XLogP1.36
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 61053482
2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 54903528
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733138
3-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 115549495
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide
CID 133305971
2-chloro-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8836733
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
2-(difluoromethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitroaniline
CID 63750445
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic acid
CID 113319755
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 31056624
5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide?
The IUPAC name of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide (CID 56801772) is 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide is Cc1noc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide?
The InChIKey is WQJUSQLYJHAHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O4/c1-6-14-10(20-15-6)5-13-11(17)8-3-2-7(16(18)19)4-9(8)12/h2-4H,5H2,1H3,(H,13,17).
What are the key properties of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide?
2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide has a molecular weight of 280.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 56801772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).