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

C13H14N4O2 — CID 8962629

IUPAC4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccccc3)no2)CCN1
InChIInChI=1S/C13H14N4O2/c18-11-8-17(7-6-14-11)9-12-15-13(16-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,18)
InChIKeyHJYQJHCVUFNLOA-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.67
Rot. Bonds3

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

4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 8962629) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID8962629
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccccc3)no2)CCN1
InChIInChI=1S/C13H14N4O2/c18-11-8-17(7-6-14-11)9-12-15-13(16-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,18)
InChIKeyHJYQJHCVUFNLOA-UHFFFAOYSA-N
XLogP0.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 36925300
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 37264714
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
2-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947512
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one
CID 9348529
4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one
CID 72860147
6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947515
5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 8962629) is 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is O=C1CN(Cc2nc(-c3ccccc3)no2)CCN1.
What is the InChIKey of 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is HJYQJHCVUFNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-11-8-17(7-6-14-11)9-12-15-13(16-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,18).
What are the key properties of 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 258.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 8962629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).