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

C16H16N4O4 — CID 70783242

IUPAC2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(-c2ccco2)nn(-c2ccccc2OC)c1=O
InChIInChI=1S/C16H16N4O4/c1-17-14(21)10-19-15(13-8-5-9-24-13)18-20(16(19)22)11-6-3-4-7-12(11)23-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyQNVOLDCOWGKEOM-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.05
Rot. Bonds5

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

2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide (PubChem CID 70783242) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
PubChem CID70783242
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(-c2ccco2)nn(-c2ccccc2OC)c1=O
InChIInChI=1S/C16H16N4O4/c1-17-14(21)10-19-15(13-8-5-9-24-13)18-20(16(19)22)11-6-3-4-7-12(11)23-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyQNVOLDCOWGKEOM-UHFFFAOYSA-N
XLogP1.05
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
CID 70742121
1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175940957
2-[5-(3,5-dimethylimidazol-4-yl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155505274
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71959422
2-[[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 23999124
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
5-(furan-2-yl)-1-(2-methoxyphenyl)triazole-4-carbonitrile
CID 82199008
3-[3-(furan-2-yl)-5-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
CID 24630921
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 84602258

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-methylacetamide?
The IUPAC name of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide (CID 70783242) is 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide is CNC(=O)Cn1c(-c2ccco2)nn(-c2ccccc2OC)c1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The InChIKey is QNVOLDCOWGKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-17-14(21)10-19-15(13-8-5-9-24-13)18-20(16(19)22)11-6-3-4-7-12(11)23-2/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide has a molecular weight of 328.33 g/mol, XLogP of 1.05, 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]-N-methylacetamide is sourced from PubChem (CID 70783242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).