N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide

C16H16N4O5 — CID 9351713

IUPACN'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C16H16N4O5/c1-10(2)18-15(21)16(22)19-17-9-13-6-7-14(25-13)11-4-3-5-12(8-11)20(23)24/h3-10H,1-2H3,(H,18,21)(H,19,22)/b17-9-
InChIKeyQRRYRLCJCMUXSC-MFOYZWKCSA-N
MW344.33 g/mol
LogP1.83
Rot. Bonds5

About N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide (PubChem CID 9351713) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
PubChem CID9351713
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C16H16N4O5/c1-10(2)18-15(21)16(22)19-17-9-13-6-7-14(25-13)11-4-3-5-12(8-11)20(23)24/h3-10H,1-2H3,(H,18,21)(H,19,22)/b17-9-
InChIKeyQRRYRLCJCMUXSC-MFOYZWKCSA-N
XLogP1.83
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94837416
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94837415
N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 6871551
N-(3,4-dimethylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 94837456
[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 691890
N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351695
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 831247
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657665
[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium
CID 89247186
5-nitro-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 5200659
5-nitro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 6299244

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide (CID 9351713) is N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
The InChIKey is QRRYRLCJCMUXSC-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-10(2)18-15(21)16(22)19-17-9-13-6-7-14(25-13)11-4-3-5-12(8-11)20(23)24/h3-10H,1-2H3,(H,18,21)(H,19,22)/b17-9-.
What are the key properties of N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide has a molecular weight of 344.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).