[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone

C21H16ClF4N3O2 — CID 71511183

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1oc(C(F)(F)F)nc1-c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H16ClF4N3O2/c22-13-4-3-5-14(12-13)28-8-10-29(11-9-28)19(30)18-17(15-6-1-2-7-16(15)23)27-20(31-18)21(24,25)26/h1-7,12H,8-11H2
InChIKeyBGAMZJYYXWDCSH-UHFFFAOYSA-N
MW453.82 g/mol
LogP5.12
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (PubChem CID 71511183) has the molecular formula C21H16ClF4N3O2 and a molecular weight of 453.82 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
PubChem CID71511183
Molecular FormulaC21H16ClF4N3O2
Molecular Weight453.82 g/mol
Exact Mass453.09
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1oc(C(F)(F)F)nc1-c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H16ClF4N3O2/c22-13-4-3-5-14(12-13)28-8-10-29(11-9-28)19(30)18-17(15-6-1-2-7-16(15)23)27-20(31-18)21(24,25)26/h1-7,12H,8-11H2
InChIKeyBGAMZJYYXWDCSH-UHFFFAOYSA-N
XLogP5.12
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.82
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511394
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-(2,3,4-trifluorophenyl)-1,3-oxazol-5-yl]methanone
CID 142714502
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 17096093
[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 151214922
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 71511489
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[2-(2-fluorophenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4557350
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526572
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
CID 1221111
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (CID 71511183) is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is O=C(c1oc(C(F)(F)F)nc1-c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The InChIKey is BGAMZJYYXWDCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4N3O2/c22-13-4-3-5-14(12-13)28-8-10-29(11-9-28)19(30)18-17(15-6-1-2-7-16(15)23)27-20(31-18)21(24,25)26/h1-7,12H,8-11H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone has a molecular weight of 453.82 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 71511183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).