N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide

C11H9N3O4 — CID 739602

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C11H9N3O4/c1-7-6-10(13-18-7)12-11(15)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyJYCYWWSDZJILCW-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.14
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide

N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide (PubChem CID 739602) 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)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
PubChem CID739602
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C11H9N3O4/c1-7-6-10(13-18-7)12-11(15)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyJYCYWWSDZJILCW-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

Soretolide
CID 198730
N-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310191
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)benzamide
CID 11485752
4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670749
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide
CID 694855
N-(5-methyl-3-isoxazolyl)-4-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1300581
tert-butyl N-[4-[3-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-1,2-oxazol-5-yl]phenyl]carbamate
CID 164627446
N-(5-methylisoxazol-3-yl)[(4-methylphenyl)amino]carboxamide
CID 728587
4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 739409
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
CID 739526
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide (CID 739602) is N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide is Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide?
The InChIKey is JYCYWWSDZJILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-7-6-10(13-18-7)12-11(15)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-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)-4-nitrobenzamide is sourced from PubChem (CID 739602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).