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

C20H25F3N4O2 — CID 4991020

IUPAC[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCCCC(N)c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1
InChIInChI=1S/C20H25F3N4O2/c1-2-3-7-16(24)18-25-17(13-29-18)19(28)27-10-8-26(9-11-27)15-6-4-5-14(12-15)20(21,22)23/h4-6,12-13,16H,2-3,7-11,24H2,1H3
InChIKeyHUKFLSBECATHFI-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.85
Rot. Bonds6

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

[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 4991020) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID4991020
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCCCC(N)c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1
InChIInChI=1S/C20H25F3N4O2/c1-2-3-7-16(24)18-25-17(13-29-18)19(28)27-10-8-26(9-11-27)15-6-4-5-14(12-15)20(21,22)23/h4-6,12-13,16H,2-3,7-11,24H2,1H3
InChIKeyHUKFLSBECATHFI-UHFFFAOYSA-N
XLogP3.85
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3469228
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515030
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 120639500
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 2956194
(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
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 112791328
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42878709
(4-ethylthiadiazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 34829975
(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44822876

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 4991020) is [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CCCCC(N)c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1.
What is the InChIKey of [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is HUKFLSBECATHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-2-3-7-16(24)18-25-17(13-29-18)19(28)27-10-8-26(9-11-27)15-6-4-5-14(12-15)20(21,22)23/h4-6,12-13,16H,2-3,7-11,24H2,1H3.
What are the key properties of [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 410.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 4991020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).