N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide

C14H13N3O5 — CID 7584723

IUPACN-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O5/c18-13(15-8-7-12-2-1-9-22-12)14(19)16-10-3-5-11(6-4-10)17(20)21/h1-6,9H,7-8H2,(H,15,18)(H,16,19)
InChIKeyVCVHSZBPPLXSKO-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide

N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide (PubChem CID 7584723) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
PubChem CID7584723
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC NameN-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O5/c18-13(15-8-7-12-2-1-9-22-12)14(19)16-10-3-5-11(6-4-10)17(20)21/h1-6,9H,7-8H2,(H,15,18)(H,16,19)
InChIKeyVCVHSZBPPLXSKO-UHFFFAOYSA-N
XLogP1.49
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.49
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-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 7585241
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
N'-(3-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584781
1-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-(4-nitrophenyl)urea
CID 42944308
N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
CID 108513182
N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
CID 7584694
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
N-[4-(furan-2-yl)butan-2-ylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide
CID 4196687
N'-(furan-2-ylmethyl)-N-[2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]oxamide
CID 7237865
2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
CID 51171787

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide (CID 7584723) is N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide is O=C(NCCc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
The InChIKey is VCVHSZBPPLXSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-13(15-8-7-12-2-1-9-22-12)14(19)16-10-3-5-11(6-4-10)17(20)21/h1-6,9H,7-8H2,(H,15,18)(H,16,19).
What are the key properties of N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide has a molecular weight of 303.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 7584723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).