1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one

C16H19ClN4O2 — CID 145287275

IUPAC1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-11(2)15(22)20-6-8-21(9-7-20)16-19-18-14(23-16)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeyVUNPJUKTBXVYAT-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.69
Rot. Bonds3

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

1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 145287275) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID145287275
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-11(2)15(22)20-6-8-21(9-7-20)16-19-18-14(23-16)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeyVUNPJUKTBXVYAT-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110416623
5-(3-chlorophenyl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17111658
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 126750535
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
CID 44605913
[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 55544052
1,3-benzodioxol-5-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110642266
2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
1-[4-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 46063843

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 145287275) is 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)o2)CC1.
What is the InChIKey of 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is VUNPJUKTBXVYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11(2)15(22)20-6-8-21(9-7-20)16-19-18-14(23-16)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 334.81 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 145287275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).