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

C16H20N4O2 — CID 110665106

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3nnc(C)o3)CC2)c1
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-14(10-12)11-15(21)19-6-8-20(9-7-19)16-18-17-13(2)22-16/h3-5,10H,6-9,11H2,1-2H3
InChIKeyJRZJYICJZVYBKC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds3

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 110665106) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID110665106
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3nnc(C)o3)CC2)c1
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-14(10-12)11-15(21)19-6-8-20(9-7-19)16-18-17-13(2)22-16/h3-5,10H,6-9,11H2,1-2H3
InChIKeyJRZJYICJZVYBKC-UHFFFAOYSA-N
XLogP1.58
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419597
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113081387
2-(3-methylphenyl)-1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]ethanone
CID 113079066
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (CID 110665106) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCN(c3nnc(C)o3)CC2)c1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is JRZJYICJZVYBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-3-5-14(10-12)11-15(21)19-6-8-20(9-7-19)16-18-17-13(2)22-16/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 110665106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).