1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

C20H22F3N3O2 — CID 58428966

IUPAC1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCNC2)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)18-17(28-19(25-18)26-8-2-1-3-9-26)16(27)11-13-4-5-15-12-24-7-6-14(15)10-13/h4-5,10,24H,1-3,6-9,11-12H2
InChIKeySBXJNAXSIGGRCY-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.75
Rot. Bonds4

About 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone (PubChem CID 58428966) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
PubChem CID58428966
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCNC2)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)18-17(28-19(25-18)26-8-2-1-3-9-26)16(27)11-13-4-5-15-12-24-7-6-14(15)10-13/h4-5,10,24H,1-3,6-9,11-12H2
InChIKeySBXJNAXSIGGRCY-UHFFFAOYSA-N
XLogP3.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 58429093
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429134
1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea
CID 58429070
2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
CID 58428550
2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429192
2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429077
1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 58428853
4-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 58428988
1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 58429069
N-(2-fluorophenyl)prop-2-enamide;2-(1H-indol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123704524
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820

Frequently Asked Questions

What is the IUPAC name of 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The IUPAC name of 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone (CID 58428966) is 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone.
What is the SMILES notation for 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The canonical SMILES for 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone is O=C(Cc1ccc2c(c1)CCNC2)c1oc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The InChIKey is SBXJNAXSIGGRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c21-20(22,23)18-17(28-19(25-18)26-8-2-1-3-9-26)16(27)11-13-4-5-15-12-24-7-6-14(15)10-13/h4-5,10,24H,1-3,6-9,11-12H2.
What are the key properties of 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone has a molecular weight of 393.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone is sourced from PubChem (CID 58428966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).