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

C11H9N3O4 — CID 872142

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C11H9N3O4/c1-7-5-10(13-18-7)12-11(15)8-3-2-4-9(6-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyZUBXSIDFUNTNSP-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.14
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide (PubChem CID 872142) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
PubChem CID872142
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C11H9N3O4/c1-7-5-10(13-18-7)12-11(15)8-3-2-4-9(6-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyZUBXSIDFUNTNSP-UHFFFAOYSA-N
XLogP2.14
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.14
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

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-nitrobenzoate
CID 17483961
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4054596
1-(5-methyl-1,2-oxazol-3-yl)-3-(3-nitrophenyl)thiourea
CID 19686943
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 959031
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 100921666
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide (CID 872142) is N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide is Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The InChIKey is ZUBXSIDFUNTNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-7-5-10(13-18-7)12-11(15)8-3-2-4-9(6-8)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide has a molecular weight of 247.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 872142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).