2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide

C18H15N3O5 — CID 16879164

IUPAC2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3cccc([N+](=O)[O-])c3)no2)cc1
InChIInChI=1S/C18H15N3O5/c1-25-16-7-5-12(6-8-16)17-10-14(20-26-17)11-18(22)19-13-3-2-4-15(9-13)21(23)24/h2-10H,11H2,1H3,(H,19,22)
InChIKeyTYFCLWZQALISQF-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.44
Rot. Bonds6

About 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide

2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 16879164) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide
PubChem CID16879164
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3cccc([N+](=O)[O-])c3)no2)cc1
InChIInChI=1S/C18H15N3O5/c1-25-16-7-5-12(6-8-16)17-10-14(20-26-17)11-18(22)19-13-3-2-4-15(9-13)21(23)24/h2-10H,11H2,1H3,(H,19,22)
InChIKeyTYFCLWZQALISQF-UHFFFAOYSA-N
XLogP3.44
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-nitrophenyl)acetamide
CID 51180014
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110316742
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879212
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879203
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 16879379
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide (CID 16879164) is 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide is COc1ccc(-c2cc(CC(=O)Nc3cccc([N+](=O)[O-])c3)no2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is TYFCLWZQALISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-25-16-7-5-12(6-8-16)17-10-14(20-26-17)11-18(22)19-13-3-2-4-15(9-13)21(23)24/h2-10H,11H2,1H3,(H,19,22).
What are the key properties of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide?
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 353.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 16879164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).