1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione

C14H14N4O3 — CID 106409186

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
SMILESCc1nc(CN2CC(=O)NC(c3ccccc3)C2=O)no1
InChIInChI=1S/C14H14N4O3/c1-9-15-11(17-21-9)7-18-8-12(19)16-13(14(18)20)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,16,19)
InChIKeyNQCCGEHTXNSGBT-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.58
Rot. Bonds3

About 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione (PubChem CID 106409186) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
PubChem CID106409186
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
SMILESCc1nc(CN2CC(=O)NC(c3ccccc3)C2=O)no1
InChIInChI=1S/C14H14N4O3/c1-9-15-11(17-21-9)7-18-8-12(19)16-13(14(18)20)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,16,19)
InChIKeyNQCCGEHTXNSGBT-UHFFFAOYSA-N
XLogP0.58
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 103142004
3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965734
1-[(5-bromothiophen-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64879769
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione
CID 106409640
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
CID 107898417
3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963692
1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 56684743
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
1-[(3-bromothiophen-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64879579
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 114185250

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione (CID 106409186) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione is Cc1nc(CN2CC(=O)NC(c3ccccc3)C2=O)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
The InChIKey is NQCCGEHTXNSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-15-11(17-21-9)7-18-8-12(19)16-13(14(18)20)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,16,19).
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione has a molecular weight of 286.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 106409186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).