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

C22H20F3N3O2 — CID 78857527

IUPAC[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)21(29)28-12-10-27(11-13-28)14-19-15-30-20(26-19)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyRBMBSANAIGXSTA-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.32
Rot. Bonds4

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

[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 78857527) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID78857527
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)21(29)28-12-10-27(11-13-28)14-19-15-30-20(26-19)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyRBMBSANAIGXSTA-UHFFFAOYSA-N
XLogP4.32
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009964
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110646494
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 109499658
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 71780646
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
6-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136575625
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059

Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 78857527) is [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RBMBSANAIGXSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)21(29)28-12-10-27(11-13-28)14-19-15-30-20(26-19)16-4-2-1-3-5-16/h1-9,15H,10-14H2.
What are the key properties of [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 415.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 78857527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).