2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C18H20N4O4 — CID 70725345

IUPAC2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOCc1nn(CC(=O)NCc2ccc(C)o2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H20N4O4/c1-13-8-9-15(26-13)10-19-17(23)11-21-18(24)22(16(20-21)12-25-2)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,19,23)
InChIKeyOTAUPUSAPYPYTL-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.40
Rot. Bonds7

About 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 70725345) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID70725345
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOCc1nn(CC(=O)NCc2ccc(C)o2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H20N4O4/c1-13-8-9-15(26-13)10-19-17(23)11-21-18(24)22(16(20-21)12-25-2)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,19,23)
InChIKeyOTAUPUSAPYPYTL-UHFFFAOYSA-N
XLogP1.40
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 70725345) is 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is COCc1nn(CC(=O)NCc2ccc(C)o2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is OTAUPUSAPYPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-13-8-9-15(26-13)10-19-17(23)11-21-18(24)22(16(20-21)12-25-2)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,19,23).
What are the key properties of 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-5-oxo-4-phenyl-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 70725345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).