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

C16H16F3N3O2 — CID 126758520

IUPAC1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)o2)CC1
InChIInChI=1S/C16H16F3N3O2/c1-11(23)21-5-7-22(8-6-21)15-20-10-14(24-15)12-3-2-4-13(9-12)16(17,18)19/h2-4,9-10H,5-8H2,1H3
InChIKeyMSKJSQMETYLUKK-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.03
Rot. Bonds2

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

1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 126758520) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
PubChem CID126758520
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)o2)CC1
InChIInChI=1S/C16H16F3N3O2/c1-11(23)21-5-7-22(8-6-21)15-20-10-14(24-15)12-3-2-4-13(9-12)16(17,18)19/h2-4,9-10H,5-8H2,1H3
InChIKeyMSKJSQMETYLUKK-UHFFFAOYSA-N
XLogP3.03
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 126750535
1-[4-[1-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 11703667
1-[4-[2-amino-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 99770504
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
N-[(3R,5R)-1-cyano-5-methylpyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 162363607
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 39979245
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594
[3,5-bis(trifluoromethyl)phenyl]-[4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42666888
[2-(methylamino)-2-oxoethyl] 4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]piperazine-1-carboxylate
CID 59218218
ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127502
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 56534055

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone (CID 126758520) is 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)o2)CC1.
What is the InChIKey of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is MSKJSQMETYLUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-11(23)21-5-7-22(8-6-21)15-20-10-14(24-15)12-3-2-4-13(9-12)16(17,18)19/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 339.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126758520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).