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

C17H21N3O6 — CID 86912998

IUPACN-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCCOc1cc(NC(=O)Cc2c(C)noc2C)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C17H21N3O6/c1-5-24-15-8-13(14(20(22)23)9-16(15)25-6-2)18-17(21)7-12-10(3)19-26-11(12)4/h8-9H,5-7H2,1-4H3,(H,18,21)
InChIKeyDXSUXGWGPUIZKG-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.18
Rot. Bonds8

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

N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 86912998) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID86912998
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC NameN-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCCOc1cc(NC(=O)Cc2c(C)noc2C)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C17H21N3O6/c1-5-24-15-8-13(14(20(22)23)9-16(15)25-6-2)18-17(21)7-12-10(3)19-26-11(12)4/h8-9H,5-7H2,1-4H3,(H,18,21)
InChIKeyDXSUXGWGPUIZKG-UHFFFAOYSA-N
XLogP3.18
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.18
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-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide
CID 86913005
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
N-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
N-(4,5-diethoxy-2-nitrophenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 78839667
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409562
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
CID 86912988
(4,5-diethoxy-2-nitrophenyl)hydrazine
CID 60920771
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47215907
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
N-(5-ethoxy-2,4-dinitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577516

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 86912998) is N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is CCOc1cc(NC(=O)Cc2c(C)noc2C)c([N+](=O)[O-])cc1OCC.
What is the InChIKey of N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is DXSUXGWGPUIZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-5-24-15-8-13(14(20(22)23)9-16(15)25-6-2)18-17(21)7-12-10(3)19-26-11(12)4/h8-9H,5-7H2,1-4H3,(H,18,21).
What are the key properties of N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 363.37 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 86912998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).