2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide

C16H24N6O2 — CID 91829337

IUPAC2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1cnn(C)c1C)Cc1noc(C2CCC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-22(9-14-19-16(24-20-14)12-6-5-7-12)10-15(23)18-13-8-17-21(3)11(13)2/h8,12H,4-7,9-10H2,1-3H3,(H,18,23)
InChIKeyKWLVTDSRKSSBBN-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.84
Rot. Bonds7

About 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide

2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 91829337) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide
PubChem CID91829337
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1cnn(C)c1C)Cc1noc(C2CCC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-22(9-14-19-16(24-20-14)12-6-5-7-12)10-15(23)18-13-8-17-21(3)11(13)2/h8,12H,4-7,9-10H2,1-3H3,(H,18,23)
InChIKeyKWLVTDSRKSSBBN-UHFFFAOYSA-N
XLogP1.84
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide (CID 91829337) is 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide is CCN(CC(=O)Nc1cnn(C)c1C)Cc1noc(C2CCC2)n1.
What is the InChIKey of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is KWLVTDSRKSSBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-22(9-14-19-16(24-20-14)12-6-5-7-12)10-15(23)18-13-8-17-21(3)11(13)2/h8,12H,4-7,9-10H2,1-3H3,(H,18,23).
What are the key properties of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 91829337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).