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

C23H27ClN4O2 — CID 45189352

IUPAC2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1CCO
InChIInChI=1S/C23H27ClN4O2/c1-17-4-2-3-5-19(17)14-28-12-11-27(15-21(28)10-13-29)16-22-25-23(26-30-22)18-6-8-20(24)9-7-18/h2-9,21,29H,10-16H2,1H3
InChIKeyFKEDFIVKXZFWFZ-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.77
Rot. Bonds7

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

2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45189352) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45189352
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1CCO
InChIInChI=1S/C23H27ClN4O2/c1-17-4-2-3-5-19(17)14-28-12-11-27(15-21(28)10-13-29)16-22-25-23(26-30-22)18-6-8-20(24)9-7-18/h2-9,21,29H,10-16H2,1H3
InChIKeyFKEDFIVKXZFWFZ-UHFFFAOYSA-N
XLogP3.77
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[1-cyclopentyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45242991
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CID 98586577
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182
2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98597594
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490
2-[(2S)-1-benzyl-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51634332
2-[1-[(2-methylphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45245970
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030665
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 17452098
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45206531
2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 29088397
3-(4-chlorophenyl)-5-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 45189352) is 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccccc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1CCO.
What is the InChIKey of 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is FKEDFIVKXZFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-17-4-2-3-5-19(17)14-28-12-11-27(15-21(28)10-13-29)16-22-25-23(26-30-22)18-6-8-20(24)9-7-18/h2-9,21,29H,10-16H2,1H3.
What are the key properties of 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 426.95 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45189352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).