2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide

C15H14N4O4 — CID 70755903

IUPAC2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide
SMILESCOc1ccccc1-n1nc(-c2ccco2)n(CC(N)=O)c1=O
InChIInChI=1S/C15H14N4O4/c1-22-11-6-3-2-5-10(11)19-15(21)18(9-13(16)20)14(17-19)12-7-4-8-23-12/h2-8H,9H2,1H3,(H2,16,20)
InChIKeyPUKSRNSRGOJEKU-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.79
Rot. Bonds5

About 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide

2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide (PubChem CID 70755903) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide
PubChem CID70755903
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide
SMILESCOc1ccccc1-n1nc(-c2ccco2)n(CC(N)=O)c1=O
InChIInChI=1S/C15H14N4O4/c1-22-11-6-3-2-5-10(11)19-15(21)18(9-13(16)20)14(17-19)12-7-4-8-23-12/h2-8H,9H2,1H3,(H2,16,20)
InChIKeyPUKSRNSRGOJEKU-UHFFFAOYSA-N
XLogP0.79
TPSA105.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide?
The IUPAC name of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide (CID 70755903) is 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide is COc1ccccc1-n1nc(-c2ccco2)n(CC(N)=O)c1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide?
The InChIKey is PUKSRNSRGOJEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-22-11-6-3-2-5-10(11)19-15(21)18(9-13(16)20)14(17-19)12-7-4-8-23-12/h2-8H,9H2,1H3,(H2,16,20).
What are the key properties of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide?
2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide has a molecular weight of 314.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]acetamide is sourced from PubChem (CID 70755903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).