2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone

C17H21ClN4O2 — CID 110603136

IUPAC2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nnc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H21ClN4O2/c1-12(2)16-19-20-17(24-16)22-9-7-21(8-10-22)15(23)11-13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyIEVALUNQTKEJTA-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.74
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 110603136) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID110603136
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nnc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H21ClN4O2/c1-12(2)16-19-20-17(24-16)22-9-7-21(8-10-22)15(23)11-13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyIEVALUNQTKEJTA-UHFFFAOYSA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-4-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417422
3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110617506
2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110610847
3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110617502
2-(4-chlorophenyl)-1-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]ethanone
CID 126815436
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119720809
2-(4-chlorophenyl)-1-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56921521
2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028444
2-(4-chlorophenyl)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028443
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
2-(4-ethoxyphenyl)-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 110395889

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (CID 110603136) is 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is CC(C)c1nnc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is IEVALUNQTKEJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-12(2)16-19-20-17(24-16)22-9-7-21(8-10-22)15(23)11-13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 348.83 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110603136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).