N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide

C15H18N4O6 — CID 56509182

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
SMILESCCc1noc(CN(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C15H18N4O6/c1-5-13-16-14(25-17-13)8-18(2)15(20)9-6-11(23-3)12(24-4)7-10(9)19(21)22/h6-7H,5,8H2,1-4H3
InChIKeyHSLVNJTURUTKDQ-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.83
Rot. Bonds7

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide (PubChem CID 56509182) has the molecular formula C15H18N4O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
PubChem CID56509182
Molecular FormulaC15H18N4O6
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
SMILESCCc1noc(CN(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C15H18N4O6/c1-5-13-16-14(25-17-13)8-18(2)15(20)9-6-11(23-3)12(24-4)7-10(9)19(21)22/h6-7H,5,8H2,1-4H3
InChIKeyHSLVNJTURUTKDQ-UHFFFAOYSA-N
XLogP1.83
TPSA120.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
2-[(4,5-dimethoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 43234989
N-(2-hydroxyethyl)-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 60652597
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 86789873
2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192
N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 104553488
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-nitrobenzamide
CID 8874715
4-methoxy-N-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 7677342
N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide
CID 35538420
5-ethoxy-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-nitrobenzamide
CID 51212673
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 56509825
N-[(3,4-dichlorophenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitrobenzamide
CID 24563230

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide (CID 56509182) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide is CCc1noc(CN(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide?
The InChIKey is HSLVNJTURUTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O6/c1-5-13-16-14(25-17-13)8-18(2)15(20)9-6-11(23-3)12(24-4)7-10(9)19(21)22/h6-7H,5,8H2,1-4H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide has a molecular weight of 350.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 56509182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).