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

C21H20Cl2N2O — CID 10691599

IUPAC3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole
SMILESClc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1
InChIInChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2
InChIKeyBKCOTBJYDGSUFC-UHFFFAOYSA-N
MW387.31 g/mol
LogP6.03
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole (PubChem CID 10691599) has the molecular formula C21H20Cl2N2O and a molecular weight of 387.31 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole
PubChem CID10691599
Molecular FormulaC21H20Cl2N2O
Molecular Weight387.31 g/mol
Exact Mass386.10
IUPAC Name3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole
SMILESClc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1
InChIInChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2
InChIKeyBKCOTBJYDGSUFC-UHFFFAOYSA-N
XLogP6.03
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.31
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole (CID 10691599) is 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole is Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole?
The InChIKey is BKCOTBJYDGSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2.
What are the key properties of 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole has a molecular weight of 387.31 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 10691599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).