2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide

C11H8BrN3O4 — CID 106415796

IUPAC2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H8BrN3O4/c12-10-2-1-7(15(17)18)5-9(10)11(16)13-6-8-3-4-14-19-8/h1-5H,6H2,(H,13,16)
InChIKeyHYUBFLYRDFQOLV-UHFFFAOYSA-N
MW326.11 g/mol
LogP2.28
Rot. Bonds4

About 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide

2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 106415796) has the molecular formula C11H8BrN3O4 and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID106415796
Molecular FormulaC11H8BrN3O4
Molecular Weight326.11 g/mol
Exact Mass324.97
IUPAC Name2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H8BrN3O4/c12-10-2-1-7(15(17)18)5-9(10)11(16)13-6-8-3-4-14-19-8/h1-5H,6H2,(H,13,16)
InChIKeyHYUBFLYRDFQOLV-UHFFFAOYSA-N
XLogP2.28
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 52.28
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-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 114185998
4-bromo-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415790
2-bromo-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302524
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939713
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
3-chloro-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600434
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-bromo-N-(2,3-dihydroxypropyl)-5-nitrobenzamide
CID 66177095
5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103941177
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
2-bromo-N-[2-(methylsulfamoyl)ethyl]-5-nitrobenzamide
CID 106336080

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 106415796) is 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide is O=C(NCc1ccno1)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is HYUBFLYRDFQOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O4/c12-10-2-1-7(15(17)18)5-9(10)11(16)13-6-8-3-4-14-19-8/h1-5H,6H2,(H,13,16).
What are the key properties of 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 326.11 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 106415796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).