5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide

C23H20N4O4 — CID 19455327

IUPAC5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ncn(Cc4ccccc4)n3)o2)cc1
InChIInChI=1S/C23H20N4O4/c1-16(28)18-7-9-19(10-8-18)30-14-20-11-12-21(31-20)22(29)25-23-24-15-27(26-23)13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,25,26,29)
InChIKeyMYCNCKWDFOMLHM-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.95
Rot. Bonds8

About 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 19455327) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID19455327
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ncn(Cc4ccccc4)n3)o2)cc1
InChIInChI=1S/C23H20N4O4/c1-16(28)18-7-9-19(10-8-18)30-14-20-11-12-21(31-20)22(29)25-23-24-15-27(26-23)13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,25,26,29)
InChIKeyMYCNCKWDFOMLHM-UHFFFAOYSA-N
XLogP3.95
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457114
methyl 4-[[5-[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449083
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457116
5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19283760
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465497
N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19453022
5-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458743
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448220
5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284879
5-[(2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458742
5-[(2-methylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19455098
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455100

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 19455327) is 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ncn(Cc4ccccc4)n3)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is MYCNCKWDFOMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-16(28)18-7-9-19(10-8-18)30-14-20-11-12-21(31-20)22(29)25-23-24-15-27(26-23)13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,25,26,29).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 19455327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).