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

C16H19ClN4O2 — CID 110608470

IUPAC1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(c3ccc(Cl)cc3C)CC2)no1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-13(17)3-4-14(11)20-5-7-21(8-6-20)16(22)10-15-18-12(2)23-19-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyTWELVOWCZCBDJM-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.23
Rot. Bonds3

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

1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 110608470) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID110608470
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(c3ccc(Cl)cc3C)CC2)no1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-13(17)3-4-14(11)20-5-7-21(8-6-20)16(22)10-15-18-12(2)23-19-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyTWELVOWCZCBDJM-UHFFFAOYSA-N
XLogP2.23
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113076805
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanone
CID 50848904
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 143462130
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
2-(4-chlorophenyl)-1-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]ethanone
CID 91768908
2-(4-chloro-2-methylphenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 52998847
3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56782004
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 143237535
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (CID 110608470) is 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is Cc1nc(CC(=O)N2CCN(c3ccc(Cl)cc3C)CC2)no1.
What is the InChIKey of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is TWELVOWCZCBDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-9-13(17)3-4-14(11)20-5-7-21(8-6-20)16(22)10-15-18-12(2)23-19-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 334.81 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110608470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).