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

C14H16N4O2 — CID 33182817

IUPAC4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESCc1ccc(-c2nnc(CN3CCNC(=O)C3)o2)cc1
InChIInChI=1S/C14H16N4O2/c1-10-2-4-11(5-3-10)14-17-16-13(20-14)9-18-7-6-15-12(19)8-18/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyARLXEKZOTOVUBZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.98
Rot. Bonds3

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

4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (PubChem CID 33182817) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
PubChem CID33182817
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESCc1ccc(-c2nnc(CN3CCNC(=O)C3)o2)cc1
InChIInChI=1S/C14H16N4O2/c1-10-2-4-11(5-3-10)14-17-16-13(20-14)9-18-7-6-15-12(19)8-18/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyARLXEKZOTOVUBZ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (CID 33182817) is 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is Cc1ccc(-c2nnc(CN3CCNC(=O)C3)o2)cc1.
What is the InChIKey of 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The InChIKey is ARLXEKZOTOVUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-2-4-11(5-3-10)14-17-16-13(20-14)9-18-7-6-15-12(19)8-18/h2-5H,6-9H2,1H3,(H,15,19).
What are the key properties of 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 33182817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).