2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C19H24N6O3 — CID 70770191

IUPAC2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCc1noc(CN(CC)C(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)n1
InChIInChI=1S/C19H24N6O3/c1-4-16-20-17(28-22-16)12-23(5-2)18(26)13-25-19(27)24(14(3)21-25)11-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3
InChIKeyWQYMSIMAPXVFAO-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.40
Rot. Bonds8

About 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 70770191) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID70770191
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCc1noc(CN(CC)C(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)n1
InChIInChI=1S/C19H24N6O3/c1-4-16-20-17(28-22-16)12-23(5-2)18(26)13-25-19(27)24(14(3)21-25)11-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3
InChIKeyWQYMSIMAPXVFAO-UHFFFAOYSA-N
XLogP1.40
TPSA99.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 70770191) is 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCc1noc(CN(CC)C(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)n1.
What is the InChIKey of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is WQYMSIMAPXVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-4-16-20-17(28-22-16)12-23(5-2)18(26)13-25-19(27)24(14(3)21-25)11-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3.
What are the key properties of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70770191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).