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

C18H20N4O4 — CID 70737032

IUPAC2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
SMILESCOc1ccccc1-n1nc(-c2ccco2)n(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C18H20N4O4/c1-12(2)19-16(23)11-21-17(15-9-6-10-26-15)20-22(18(21)24)13-7-4-5-8-14(13)25-3/h4-10,12H,11H2,1-3H3,(H,19,23)
InChIKeyZZOOSTVDKQFNMZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.83
Rot. Bonds6

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

2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 70737032) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
PubChem CID70737032
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
SMILESCOc1ccccc1-n1nc(-c2ccco2)n(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C18H20N4O4/c1-12(2)19-16(23)11-21-17(15-9-6-10-26-15)20-22(18(21)24)13-7-4-5-8-14(13)25-3/h4-10,12H,11H2,1-3H3,(H,19,23)
InChIKeyZZOOSTVDKQFNMZ-UHFFFAOYSA-N
XLogP1.83
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide (CID 70737032) is 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide is COc1ccccc1-n1nc(-c2ccco2)n(CC(=O)NC(C)C)c1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is ZZOOSTVDKQFNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(2)19-16(23)11-21-17(15-9-6-10-26-15)20-22(18(21)24)13-7-4-5-8-14(13)25-3/h4-10,12H,11H2,1-3H3,(H,19,23).
What are the key properties of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide?
2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 356.38 g/mol, XLogP of 1.83, 6 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 70737032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).