[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C21H17F3N4O3 — CID 112838896

IUPAC[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)16-3-1-15(2-4-16)19(29)27-9-11-28(12-10-27)20(30)17-13-18(31-26-17)14-5-7-25-8-6-14/h1-8,13H,9-12H2
InChIKeyGOCISVOFHUMTGC-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.35
Rot. Bonds3

About [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 112838896) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID112838896
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)16-3-1-15(2-4-16)19(29)27-9-11-28(12-10-27)20(30)17-13-18(31-26-17)14-5-7-25-8-6-14/h1-8,13H,9-12H2
InChIKeyGOCISVOFHUMTGC-UHFFFAOYSA-N
XLogP3.35
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 46649465
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
(3-hydroxypiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 110899930
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684
[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 112845110
(4-benzylsulfonylpiperazin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844842
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112838842
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 119648082
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386

Frequently Asked Questions

What is the IUPAC name of [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 112838896) is [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1.
What is the InChIKey of [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is GOCISVOFHUMTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)16-3-1-15(2-4-16)19(29)27-9-11-28(12-10-27)20(30)17-13-18(31-26-17)14-5-7-25-8-6-14/h1-8,13H,9-12H2.
What are the key properties of [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 430.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 112838896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).