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

C19H23F3N4O2 — CID 3469228

IUPAC[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1
InChIInChI=1S/C19H23F3N4O2/c1-12(2)16(23)17-24-15(11-28-17)18(27)26-8-6-25(7-9-26)14-5-3-4-13(10-14)19(20,21)22/h3-5,10-12,16H,6-9,23H2,1-2H3
InChIKeyZECARHDVSRMSRE-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.31
Rot. Bonds4

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

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 3469228) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID3469228
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1
InChIInChI=1S/C19H23F3N4O2/c1-12(2)16(23)17-24-15(11-28-17)18(27)26-8-6-25(7-9-26)14-5-3-4-13(10-14)19(20,21)22/h3-5,10-12,16H,6-9,23H2,1-2H3
InChIKeyZECARHDVSRMSRE-UHFFFAOYSA-N
XLogP3.31
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4991020
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515030
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3851144
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 120639500
(2S)-2-amino-4-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
CID 118427533
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 71511489
[(2S)-3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-2-yl]urea
CID 51968388

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 3469228) is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CC(C)C(N)c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1.
What is the InChIKey of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is ZECARHDVSRMSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-12(2)16(23)17-24-15(11-28-17)18(27)26-8-6-25(7-9-26)14-5-3-4-13(10-14)19(20,21)22/h3-5,10-12,16H,6-9,23H2,1-2H3.
What are the key properties of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 396.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3469228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).