[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C22H18Cl2F3N3O2 — CID 19329665

IUPAC[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H18Cl2F3N3O2/c23-16-4-5-17(18(24)11-16)20-12-19(28-32-20)21(31)30-8-6-29(7-9-30)13-14-2-1-3-15(10-14)22(25,26)27/h1-5,10-12H,6-9,13H2
InChIKeyYPEPEZQBGZHAPN-UHFFFAOYSA-N
MW484.31 g/mol
LogP5.63
Rot. Bonds4

About [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 19329665) has the molecular formula C22H18Cl2F3N3O2 and a molecular weight of 484.31 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID19329665
Molecular FormulaC22H18Cl2F3N3O2
Molecular Weight484.31 g/mol
Exact Mass483.07
IUPAC Name[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H18Cl2F3N3O2/c23-16-4-5-17(18(24)11-16)20-12-19(28-32-20)21(31)30-8-6-29(7-9-30)13-14-2-1-3-15(10-14)22(25,26)27/h1-5,10-12H,6-9,13H2
InChIKeyYPEPEZQBGZHAPN-UHFFFAOYSA-N
XLogP5.63
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.31
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 78831339
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 1093832
(2-phenyl-1,3-thiazol-4-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 18115382
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
[1-[(3-chloro-4-fluorophenoxy)methyl]pyrazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19472598
(4-chloro-1-ethylpyrazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19279313
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 19514902
2-[3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19500261
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 19329665) is [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is YPEPEZQBGZHAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N3O2/c23-16-4-5-17(18(24)11-16)20-12-19(28-32-20)21(31)30-8-6-29(7-9-30)13-14-2-1-3-15(10-14)22(25,26)27/h1-5,10-12H,6-9,13H2.
What are the key properties of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 484.31 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19329665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).