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

C15H20N4O4 — CID 71983402

IUPAC2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
SMILESCCc1nc(CN2CCN(Cc3cc(=O)c(O)co3)CC2)no1
InChIInChI=1S/C15H20N4O4/c1-2-15-16-14(17-23-15)9-19-5-3-18(4-6-19)8-11-7-12(20)13(21)10-22-11/h7,10,21H,2-6,8-9H2,1H3
InChIKeyRXVLPFOLKKQXJD-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.61
Rot. Bonds5

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

2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one (PubChem CID 71983402) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
PubChem CID71983402
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
SMILESCCc1nc(CN2CCN(Cc3cc(=O)c(O)co3)CC2)no1
InChIInChI=1S/C15H20N4O4/c1-2-15-16-14(17-23-15)9-19-5-3-18(4-6-19)8-11-7-12(20)13(21)10-22-11/h7,10,21H,2-6,8-9H2,1H3
InChIKeyRXVLPFOLKKQXJD-UHFFFAOYSA-N
XLogP0.61
TPSA95.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one with MolForge

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Related Compounds

1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300
5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 60570659
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704414
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119882433
5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one
CID 78995679
(Z)-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-phenylbut-2-en-1-one
CID 56786947
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119882479
2-(4-aminophenyl)-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882434
8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78969841
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119882437

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one (CID 71983402) is 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one is CCc1nc(CN2CCN(Cc3cc(=O)c(O)co3)CC2)no1.
What is the InChIKey of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
The InChIKey is RXVLPFOLKKQXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-2-15-16-14(17-23-15)9-19-5-3-18(4-6-19)8-11-7-12(20)13(21)10-22-11/h7,10,21H,2-6,8-9H2,1H3.
What are the key properties of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one has a molecular weight of 320.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 71983402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).