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

C17H21ClN4O2 — CID 94028444

IUPAC2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1noc([C@H](C)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H21ClN4O2/c1-12(17-19-13(2)20-24-17)21-7-9-22(10-8-21)16(23)11-14-3-5-15(18)6-4-14/h3-6,12H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyJHKXZLAIKXNPTF-LBPRGKRZSA-N
MW348.83 g/mol
LogP2.48
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 94028444) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID94028444
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1noc([C@H](C)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H21ClN4O2/c1-12(17-19-13(2)20-24-17)21-7-9-22(10-8-21)16(23)11-14-3-5-15(18)6-4-14/h3-6,12H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyJHKXZLAIKXNPTF-LBPRGKRZSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028443
2-(2-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94818654
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 51946721
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 52509003
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880602
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650
(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880632
[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 35197509
5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95587278

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone (CID 94028444) is 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone is Cc1noc([C@H](C)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is JHKXZLAIKXNPTF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-12(17-19-13(2)20-24-17)21-7-9-22(10-8-21)16(23)11-14-3-5-15(18)6-4-14/h3-6,12H,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 348.83 g/mol, XLogP of 2.48, 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-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 94028444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).