3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one

C14H16N4O2 — CID 136524266

IUPAC3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
SMILESCC1C(=O)NCCN1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O2/c1-10-13(19)15-7-8-18(10)9-12-16-14(20-17-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)
InChIKeyLGWXBEAEPKCAAR-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.06
Rot. Bonds3

About 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one

3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one (PubChem CID 136524266) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
PubChem CID136524266
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
SMILESCC1C(=O)NCCN1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O2/c1-10-13(19)15-7-8-18(10)9-12-16-14(20-17-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)
InChIKeyLGWXBEAEPKCAAR-UHFFFAOYSA-N
XLogP1.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one (CID 136524266) is 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one is CC1C(=O)NCCN1Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
The InChIKey is LGWXBEAEPKCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-13(19)15-7-8-18(10)9-12-16-14(20-17-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19).
What are the key properties of 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 136524266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).