5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide

C18H18N4O5 — CID 19292533

IUPAC5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NCc3ccnn3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O5/c1-12-3-5-16(15(9-12)22(24)25)26-11-14-4-6-17(27-14)18(23)19-10-13-7-8-20-21(13)2/h3-9H,10-11H2,1-2H3,(H,19,23)
InChIKeyFEDXYQHACGTGOK-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.74
Rot. Bonds7

About 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide

5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 19292533) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
PubChem CID19292533
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NCc3ccnn3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O5/c1-12-3-5-16(15(9-12)22(24)25)26-11-14-4-6-17(27-14)18(23)19-10-13-7-8-20-21(13)2/h3-9H,10-11H2,1-2H3,(H,19,23)
InChIKeyFEDXYQHACGTGOK-UHFFFAOYSA-N
XLogP2.74
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4865546
N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206
N-(furan-2-ylmethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461282
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
N-[(1-ethylpyrazol-3-yl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19331052
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19461255
5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 580014
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19460542
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 1231821

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide (CID 19292533) is 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NCc3ccnn3C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is FEDXYQHACGTGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-12-3-5-16(15(9-12)22(24)25)26-11-14-4-6-17(27-14)18(23)19-10-13-7-8-20-21(13)2/h3-9H,10-11H2,1-2H3,(H,19,23).
What are the key properties of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19292533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).