2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C18H18N6O3 — CID 126767174

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1nnc(-c2ccccc2)o1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18N6O3/c25-16(24-10-8-23(9-11-24)15-12-19-6-7-20-15)13-26-18-22-21-17(27-18)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyRVKDJTCOLRDSQX-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.25
Rot. Bonds5

About 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 126767174) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID126767174
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1nnc(-c2ccccc2)o1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18N6O3/c25-16(24-10-8-23(9-11-24)15-12-19-6-7-20-15)13-26-18-22-21-17(27-18)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyRVKDJTCOLRDSQX-UHFFFAOYSA-N
XLogP1.25
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
CID 55601779
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
2-(4-bromo-2-fluorophenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 17498992
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
CID 159144483
2-(2-methoxyphenyl)-1-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanone
CID 138385444
2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 55524989
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 126767174) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is O=C(COc1nnc(-c2ccccc2)o1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RVKDJTCOLRDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c25-16(24-10-8-23(9-11-24)15-12-19-6-7-20-15)13-26-18-22-21-17(27-18)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 366.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 126767174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).