2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone

C26H24ClN3O3 — CID 22263702

IUPAC2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1nc2ccccc2o1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H24ClN3O3/c27-20-11-9-19(10-12-20)17-29-13-15-30(16-14-29)25(31)18-32-23-7-3-1-5-21(23)26-28-22-6-2-4-8-24(22)33-26/h1-12H,13-18H2
InChIKeyBXMAKTKGYLXLDM-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.87
Rot. Bonds6

About 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone

2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 22263702) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID22263702
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1nc2ccccc2o1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H24ClN3O3/c27-20-11-9-19(10-12-20)17-29-13-15-30(16-14-29)25(31)18-32-23-7-3-1-5-21(23)26-28-22-6-2-4-8-24(22)33-26/h1-12H,13-18H2
InChIKeyBXMAKTKGYLXLDM-UHFFFAOYSA-N
XLogP4.87
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 22265251
5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one
CID 22264734
ethyl 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate
CID 22264628
2-(4-chloronaphthalen-1-yl)oxy-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 54158634
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-6-fluorobenzoic acid
CID 22264040
2-(3-amino-2-methylphenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264376
2-(2-amino-3-methylphenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264286
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,3,4-trifluorophenoxy)ethanone
CID 22264972
butyl 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate
CID 22264816
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22265230
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone
CID 22264482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone (CID 22263702) is 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone is O=C(COc1ccccc1-c1nc2ccccc2o1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is BXMAKTKGYLXLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c27-20-11-9-19(10-12-20)17-29-13-15-30(16-14-29)25(31)18-32-23-7-3-1-5-21(23)26-28-22-6-2-4-8-24(22)33-26/h1-12H,13-18H2.
What are the key properties of 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 461.95 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 22263702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).