2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide

C19H19N3O6 — CID 86913005

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide
SMILESCCOc1cc(NC(=O)Cc2noc3ccccc23)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C19H19N3O6/c1-3-26-17-9-14(15(22(24)25)11-18(17)27-4-2)20-19(23)10-13-12-7-5-6-8-16(12)28-21-13/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)
InChIKeyUJMHAZCJCAYTBG-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.71
Rot. Bonds8

About 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide (PubChem CID 86913005) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide
PubChem CID86913005
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide
SMILESCCOc1cc(NC(=O)Cc2noc3ccccc23)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C19H19N3O6/c1-3-26-17-9-14(15(22(24)25)11-18(17)27-4-2)20-19(23)10-13-12-7-5-6-8-16(12)28-21-13/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)
InChIKeyUJMHAZCJCAYTBG-UHFFFAOYSA-N
XLogP3.71
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.71
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'}

Analyze 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2,5-diethoxyphenyl)acetamide
CID 35540282
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 87006319
N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 86912998
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982853
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
N-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
N-(4,5-diethoxy-2-nitrophenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 78839667
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122356081
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide (CID 86913005) is 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide is CCOc1cc(NC(=O)Cc2noc3ccccc23)c([N+](=O)[O-])cc1OCC.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide?
The InChIKey is UJMHAZCJCAYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-3-26-17-9-14(15(22(24)25)11-18(17)27-4-2)20-19(23)10-13-12-7-5-6-8-16(12)28-21-13/h5-9,11H,3-4,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide has a molecular weight of 385.38 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 86913005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).