N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide

C15H15N3O6 — CID 90523930

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCC(O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O6/c19-12(13-2-1-9-24-13)7-8-16-14(20)15(21)17-10-3-5-11(6-4-10)18(22)23/h1-6,9,12,19H,7-8H2,(H,16,20)(H,17,21)
InChIKeyUODROEMAADGHQB-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.37
Rot. Bonds6

About N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide

N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide (PubChem CID 90523930) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
PubChem CID90523930
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCC(O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O6/c19-12(13-2-1-9-24-13)7-8-16-14(20)15(21)17-10-3-5-11(6-4-10)18(22)23/h1-6,9,12,19H,7-8H2,(H,16,20)(H,17,21)
InChIKeyUODROEMAADGHQB-UHFFFAOYSA-N
XLogP1.37
TPSA134.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
CID 7584723
N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523924
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
CID 41180936
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
[(1R)-1-(furan-2-yl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8683380
N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
CID 108513182
N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
CID 7584694
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
CID 110890326
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-nitrophenyl)urea
CID 42912289

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide (CID 90523930) is N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide is O=C(NCCC(O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide?
The InChIKey is UODROEMAADGHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c19-12(13-2-1-9-24-13)7-8-16-14(20)15(21)17-10-3-5-11(6-4-10)18(22)23/h1-6,9,12,19H,7-8H2,(H,16,20)(H,17,21).
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide has a molecular weight of 333.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 90523930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).