N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide

C16H17N3O5 — CID 90536281

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)o1
InChIInChI=1S/C16H17N3O5/c1-9-4-5-13(19(22)23)7-14(9)18-16(21)15(20)17-8-12-6-10(2)24-11(12)3/h4-7H,8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyWKSAGXHQNIUJRA-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.37
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide (PubChem CID 90536281) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
PubChem CID90536281
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)o1
InChIInChI=1S/C16H17N3O5/c1-9-4-5-13(19(22)23)7-14(9)18-16(21)15(20)17-8-12-6-10(2)24-11(12)3/h4-7H,8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyWKSAGXHQNIUJRA-UHFFFAOYSA-N
XLogP2.37
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915
N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide
CID 56765611
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588885
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90496686
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18589254
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 41454442
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
CID 55606742
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90535613
N-[(2-methoxy-2-adamantyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90624337

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide (CID 90536281) is N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide is Cc1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The InChIKey is WKSAGXHQNIUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-9-4-5-13(19(22)23)7-14(9)18-16(21)15(20)17-8-12-6-10(2)24-11(12)3/h4-7H,8H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide has a molecular weight of 331.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide is sourced from PubChem (CID 90536281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).