4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide

C17H14N4O6 — CID 158350856

IUPAC4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide
SMILESCc1coc(-c2cccc([N+](=O)[O-])c2)n1.NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H8N2O3.C7H6N2O3/c1-7-6-15-10(11-7)8-3-2-4-9(5-8)12(13)14;8-7(10)5-2-1-3-6(4-5)9(11)12/h2-6H,1H3;1-4H,(H2,8,10)
InChIKeyGSHLCKJWFXKVGZ-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.25
Rot. Bonds4

About 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide

4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide (PubChem CID 158350856) has the molecular formula C17H14N4O6 and a molecular weight of 370.32 g/mol. Its IUPAC name is 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide.

Molecular Properties

Compound Name4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide
PubChem CID158350856
Molecular FormulaC17H14N4O6
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC Name4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide
SMILESCc1coc(-c2cccc([N+](=O)[O-])c2)n1.NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H8N2O3.C7H6N2O3/c1-7-6-15-10(11-7)8-3-2-4-9(5-8)12(13)14;8-7(10)5-2-1-3-6(4-5)9(11)12/h2-6H,1H3;1-4H,(H2,8,10)
InChIKeyGSHLCKJWFXKVGZ-UHFFFAOYSA-N
XLogP3.25
TPSA155.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
benzamide;3-nitrobenzoic acid
CID 139144379
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CID 21205474
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
3-(5-ethyl-1,2-thiazol-3-yl)aniline;3-nitrobenzamide
CID 160844671
1-methyl-3-nitrobenzene;3-(trifluoromethyl)benzamide
CID 174838566
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
(5-methyl-1,2,4-oxadiazol-3-yl)-(3-nitrophenyl)methanone
CID 24766083
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3106201
5-(3-nitrophenyl)furan-3-carboxylic acid
CID 90487469
4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 136514551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide?
The IUPAC name of 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide (CID 158350856) is 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide.
What is the SMILES notation for 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide?
The canonical SMILES for 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide is Cc1coc(-c2cccc([N+](=O)[O-])c2)n1.NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide?
The InChIKey is GSHLCKJWFXKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3.C7H6N2O3/c1-7-6-15-10(11-7)8-3-2-4-9(5-8)12(13)14;8-7(10)5-2-1-3-6(4-5)9(11)12/h2-6H,1H3;1-4H,(H2,8,10).
What are the key properties of 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide?
4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide has a molecular weight of 370.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide is sourced from PubChem (CID 158350856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).