[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C21H16Cl2F3N3O2 — CID 46096552

IUPAC[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1
InChIInChI=1S/C21H16Cl2F3N3O2/c22-15-6-3-7-16(23)17(15)18-27-19(31-28-18)12-8-10-29(11-9-12)20(30)13-4-1-2-5-14(13)21(24,25)26/h1-7,12H,8-11H2
InChIKeyCULJMRRXGZXBQQ-UHFFFAOYSA-N
MW470.28 g/mol
LogP6.08
Rot. Bonds3

About [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 46096552) has the molecular formula C21H16Cl2F3N3O2 and a molecular weight of 470.28 g/mol. Its IUPAC name is [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID46096552
Molecular FormulaC21H16Cl2F3N3O2
Molecular Weight470.28 g/mol
Exact Mass469.06
IUPAC Name[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1
InChIInChI=1S/C21H16Cl2F3N3O2/c22-15-6-3-7-16(23)17(15)18-27-19(31-28-18)12-8-10-29(11-9-12)20(30)13-4-1-2-5-14(13)21(24,25)26/h1-7,12H,8-11H2
InChIKeyCULJMRRXGZXBQQ-UHFFFAOYSA-N
XLogP6.08
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.28
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
1-[(3R)-3-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 129397592
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 4538481
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121098510
1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 136531424
[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 648228
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 42760543
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55558490
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 52952191

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 46096552) is [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1.
What is the InChIKey of [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is CULJMRRXGZXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2F3N3O2/c22-15-6-3-7-16(23)17(15)18-27-19(31-28-18)12-8-10-29(11-9-12)20(30)13-4-1-2-5-14(13)21(24,25)26/h1-7,12H,8-11H2.
What are the key properties of [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 470.28 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 46096552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).