2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide

C11H6Cl3N3O4 — CID 134100427

IUPAC2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl3N3O4/c1-4-9(17(19)20)11(21-16-4)15-10(18)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H,15,18)
InChIKeyMCIIZOXDOAGTSU-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.10
Rot. Bonds3

About 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide

2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide (PubChem CID 134100427) has the molecular formula C11H6Cl3N3O4 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide
PubChem CID134100427
Molecular FormulaC11H6Cl3N3O4
Molecular Weight350.55 g/mol
Exact Mass348.94
IUPAC Name2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl3N3O4/c1-4-9(17(19)20)11(21-16-4)15-10(18)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H,15,18)
InChIKeyMCIIZOXDOAGTSU-UHFFFAOYSA-N
XLogP4.10
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.10
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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Related Compounds

2,6-dimethoxy-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide
CID 134100440
2-chloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)acetamide
CID 2778373
N-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 2820278
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
CID 65486427
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-nitrobenzamide
CID 79831298
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
ethyl 2,4-dichloro-6-nitrobenzoate
CID 121228434
N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
CID 5070149
5-(2,4-dichlorophenyl)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 19282655
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65481378
2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide
CID 113234585

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide (CID 134100427) is 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide is Cc1noc(NC(=O)c2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide?
The InChIKey is MCIIZOXDOAGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O4/c1-4-9(17(19)20)11(21-16-4)15-10(18)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H,15,18).
What are the key properties of 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide?
2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide has a molecular weight of 350.55 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 134100427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).