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

C15H19N5O2 — CID 133113416

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCc1nonc1CC(=O)NCC1CC(c2ccccc2)NN1
InChIInChI=1S/C15H19N5O2/c1-10-13(20-22-19-10)8-15(21)16-9-12-7-14(18-17-12)11-5-3-2-4-6-11/h2-6,12,14,17-18H,7-9H2,1H3,(H,16,21)
InChIKeyFKXGFSAIODKZIK-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.64
Rot. Bonds5

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

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (PubChem CID 133113416) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
PubChem CID133113416
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCc1nonc1CC(=O)NCC1CC(c2ccccc2)NN1
InChIInChI=1S/C15H19N5O2/c1-10-13(20-22-19-10)8-15(21)16-9-12-7-14(18-17-12)11-5-3-2-4-6-11/h2-6,12,14,17-18H,7-9H2,1H3,(H,16,21)
InChIKeyFKXGFSAIODKZIK-UHFFFAOYSA-N
XLogP0.64
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (CID 133113416) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is Cc1nonc1CC(=O)NCC1CC(c2ccccc2)NN1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The InChIKey is FKXGFSAIODKZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-13(20-22-19-10)8-15(21)16-9-12-7-14(18-17-12)11-5-3-2-4-6-11/h2-6,12,14,17-18H,7-9H2,1H3,(H,16,21).
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 133113416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).