N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C25H20N4O3 — CID 55826233

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)c2)n[nH]1
InChIInChI=1S/C25H20N4O3/c1-16-26-24(29-28-16)19-7-4-8-20(13-19)27-25(30)23-12-11-22(32-23)15-31-21-10-9-17-5-2-3-6-18(17)14-21/h2-14H,15H2,1H3,(H,27,30)(H,26,28,29)
InChIKeyXXBFNXLZJJVEOS-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.36
Rot. Bonds6

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 55826233) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID55826233
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)c2)n[nH]1
InChIInChI=1S/C25H20N4O3/c1-16-26-24(29-28-16)19-7-4-8-20(13-19)27-25(30)23-12-11-22(32-23)15-31-21-10-9-17-5-2-3-6-18(17)14-21/h2-14H,15H2,1H3,(H,27,30)(H,26,28,29)
InChIKeyXXBFNXLZJJVEOS-UHFFFAOYSA-N
XLogP5.36
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 166185177
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 46401322
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460996
N-(1,5-dimethylpyrazol-3-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39886151
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 46466062

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 55826233) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is XXBFNXLZJJVEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-16-26-24(29-28-16)19-7-4-8-20(13-19)27-25(30)23-12-11-22(32-23)15-31-21-10-9-17-5-2-3-6-18(17)14-21/h2-14H,15H2,1H3,(H,27,30)(H,26,28,29).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 55826233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).