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

C19H20N4O4 — CID 71793568

IUPAC2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(-c2ccco2)n(C2CC2)c1=O
InChIInChI=1S/C19H20N4O4/c1-2-26-15-7-4-3-6-14(15)20-17(24)12-22-19(25)23(13-9-10-13)18(21-22)16-8-5-11-27-16/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,24)
InChIKeyXPNLSHNTAFHBCV-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.68
Rot. Bonds7

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

2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 71793568) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID71793568
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(-c2ccco2)n(C2CC2)c1=O
InChIInChI=1S/C19H20N4O4/c1-2-26-15-7-4-3-6-14(15)20-17(24)12-22-19(25)23(13-9-10-13)18(21-22)16-8-5-11-27-16/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,24)
InChIKeyXPNLSHNTAFHBCV-UHFFFAOYSA-N
XLogP2.68
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 71793568) is 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1nc(-c2ccco2)n(C2CC2)c1=O.
What is the InChIKey of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is XPNLSHNTAFHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-2-26-15-7-4-3-6-14(15)20-17(24)12-22-19(25)23(13-9-10-13)18(21-22)16-8-5-11-27-16/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,24).
What are the key properties of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 71793568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).