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

C16H20N4O2 — CID 110665105

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)o1
InChIInChI=1S/C16H20N4O2/c1-12-5-3-4-6-14(12)11-15(21)19-7-9-20(10-8-19)16-18-17-13(2)22-16/h3-6H,7-11H2,1-2H3
InChIKeyUVPJCVFUNBVLRP-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-(2-methylphenyl)ethanone

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 110665105) 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-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID110665105
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-(2-methylphenyl)ethanone
SMILESCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)o1
InChIInChI=1S/C16H20N4O2/c1-12-5-3-4-6-14(12)11-15(21)19-7-9-20(10-8-19)16-18-17-13(2)22-16/h3-6H,7-11H2,1-2H3
InChIKeyUVPJCVFUNBVLRP-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-(3-methylphenyl)ethanone
CID 110665106
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110419867
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
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-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
2-(2-methylphenyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133300459
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419618
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone (CID 110665105) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone is Cc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)o1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is UVPJCVFUNBVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-5-3-4-6-14(12)11-15(21)19-7-9-20(10-8-19)16-18-17-13(2)22-16/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-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-(2-methylphenyl)ethanone is sourced from PubChem (CID 110665105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).