2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide

C13H13N3O4 — CID 100921666

IUPAC2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C13H13N3O4/c1-7-4-5-10(16(18)19)9(3)12(7)13(17)14-11-6-8(2)20-15-11/h4-6H,1-3H3,(H,14,15,17)
InChIKeyMPOOQUVLPXMUGE-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.76
Rot. Bonds3

About 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide

2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide (PubChem CID 100921666) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
PubChem CID100921666
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C13H13N3O4/c1-7-4-5-10(16(18)19)9(3)12(7)13(17)14-11-6-8(2)20-15-11/h4-6H,1-3H3,(H,14,15,17)
InChIKeyMPOOQUVLPXMUGE-UHFFFAOYSA-N
XLogP2.76
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.76
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-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 107122878
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
4,5-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 884052
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
2,6-dimethyl-3-nitrobenzamide
CID 118992531
2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 110865581
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-methyl-6-nitrobenzoate
CID 40938457
3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 29201390
N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 959031
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-[2-(dimethylamino)ethyl]-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 42770327

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The IUPAC name of 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide (CID 100921666) is 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The canonical SMILES for 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide is Cc1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)no1.
What is the InChIKey of 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The InChIKey is MPOOQUVLPXMUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-4-5-10(16(18)19)9(3)12(7)13(17)14-11-6-8(2)20-15-11/h4-6H,1-3H3,(H,14,15,17).
What are the key properties of 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide has a molecular weight of 275.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 100921666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).