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

C24H27ClN4O4 — CID 30737644

IUPACethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate
SMILESCCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2noc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C24H27ClN4O4/c1-3-32-24(30)22(17-4-8-19(25)9-5-17)29-14-12-28(13-15-29)16-21-26-23(33-27-21)18-6-10-20(31-2)11-7-18/h4-11,22H,3,12-16H2,1-2H3/t22-/m0/s1
InChIKeyZYNMDYVZBXVVBA-QFIPXVFZSA-N
MW470.96 g/mol
LogP3.82
Rot. Bonds8

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

ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate (PubChem CID 30737644) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate
PubChem CID30737644
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Nameethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate
SMILESCCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2noc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C24H27ClN4O4/c1-3-32-24(30)22(17-4-8-19(25)9-5-17)29-14-12-28(13-15-29)16-21-26-23(33-27-21)18-6-10-20(31-2)11-7-18/h4-11,22H,3,12-16H2,1-2H3/t22-/m0/s1
InChIKeyZYNMDYVZBXVVBA-QFIPXVFZSA-N
XLogP3.82
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42691863
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-(4-benzylpiperazin-1-yl)-2-(4-phenylphenyl)acetate
CID 121454645
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 111334093
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
ethyl 2-(4-chlorophenyl)-2-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetate
CID 42926682
1-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966872
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
2-(4-methoxyphenyl)-1-[4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone
CID 42879730
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 12505299
2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 86789406
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 42879831

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate (CID 30737644) is ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate is CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2noc(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is ZYNMDYVZBXVVBA-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-3-32-24(30)22(17-4-8-19(25)9-5-17)29-14-12-28(13-15-29)16-21-26-23(33-27-21)18-6-10-20(31-2)11-7-18/h4-11,22H,3,12-16H2,1-2H3/t22-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate?
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 470.96 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-chlorophenyl)-2-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 30737644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).