2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide

C11H8ClN3O4 — CID 694855

IUPAC2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide
SMILESCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)no1
InChIInChI=1S/C11H8ClN3O4/c1-6-4-10(14-19-6)13-11(16)8-5-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16)
InChIKeyDNMZREGGPLYTCI-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide

2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide (PubChem CID 694855) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide
PubChem CID694855
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide
SMILESCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)no1
InChIInChI=1S/C11H8ClN3O4/c1-6-4-10(14-19-6)13-11(16)8-5-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16)
InChIKeyDNMZREGGPLYTCI-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide (CID 694855) is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide is Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)no1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide?
The InChIKey is DNMZREGGPLYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c1-6-4-10(14-19-6)13-11(16)8-5-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16).
What are the key properties of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide?
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide 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 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide is sourced from PubChem (CID 694855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).