5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride

C22H23Cl3N2O — CID 110170883

IUPAC5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESCl.Clc1ccc(CC2CCN(Cc3ncc(-c4ccccc4Cl)o3)CC2)cc1
InChIInChI=1S/C22H22Cl2N2O.ClH/c23-18-7-5-16(6-8-18)13-17-9-11-26(12-10-17)15-22-25-14-21(27-22)19-3-1-2-4-20(19)24;/h1-8,14,17H,9-13,15H2;1H
InChIKeyDSSQZVZAOGYAJI-UHFFFAOYSA-N
MW437.80 g/mol
LogP6.52
Rot. Bonds5

About 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride

5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride (PubChem CID 110170883) has the molecular formula C22H23Cl3N2O and a molecular weight of 437.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride
PubChem CID110170883
Molecular FormulaC22H23Cl3N2O
Molecular Weight437.80 g/mol
Exact Mass436.09
IUPAC Name5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESCl.Clc1ccc(CC2CCN(Cc3ncc(-c4ccccc4Cl)o3)CC2)cc1
InChIInChI=1S/C22H22Cl2N2O.ClH/c23-18-7-5-16(6-8-18)13-17-9-11-26(12-10-17)15-22-25-14-21(27-22)19-3-1-2-4-20(19)24;/h1-8,14,17H,9-13,15H2;1H
InChIKeyDSSQZVZAOGYAJI-UHFFFAOYSA-N
XLogP6.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.80
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride (CID 110170883) is 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride is Cl.Clc1ccc(CC2CCN(Cc3ncc(-c4ccccc4Cl)o3)CC2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The InChIKey is DSSQZVZAOGYAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O.ClH/c23-18-7-5-16(6-8-18)13-17-9-11-26(12-10-17)15-22-25-14-21(27-22)19-3-1-2-4-20(19)24;/h1-8,14,17H,9-13,15H2;1H.
What are the key properties of 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride?
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride has a molecular weight of 437.80 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 110170883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).