N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C11H8ClN3O4 — CID 23853374

IUPACN-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H8ClN3O4/c1-6-8(5-13-19-6)11(16)14-10-3-2-7(15(17)18)4-9(10)12/h2-5H,1H3,(H,14,16)
InChIKeyIVLYPIJVIVJURP-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.80
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 23853374) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID23853374
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC NameN-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H8ClN3O4/c1-6-8(5-13-19-6)11(16)14-10-3-2-7(15(17)18)4-9(10)12/h2-5H,1H3,(H,14,16)
InChIKeyIVLYPIJVIVJURP-UHFFFAOYSA-N
XLogP2.80
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.80
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

N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
5-chloro-N-(2-chloro-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625696
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
CID 103817011
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472
(2,4-dinitrophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 54227648
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 23853374) is N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IVLYPIJVIVJURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c1-6-8(5-13-19-6)11(16)14-10-3-2-7(15(17)18)4-9(10)12/h2-5H,1H3,(H,14,16).
What are the key properties of N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 281.66 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 23853374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).