2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole

C23H26F3N3O2 — CID 126952627

IUPAC2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESFC(F)(F)Cn1ccc2c(OC3CCN(Cc4nc5c(o4)CCCC5)CC3)cccc21
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)15-29-13-10-17-19(29)5-3-7-20(17)30-16-8-11-28(12-9-16)14-22-27-18-4-1-2-6-21(18)31-22/h3,5,7,10,13,16H,1-2,4,6,8-9,11-12,14-15H2
InChIKeyAWMWHZCXJIHULO-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.11
Rot. Bonds5

About 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole

2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 126952627) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID126952627
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESFC(F)(F)Cn1ccc2c(OC3CCN(Cc4nc5c(o4)CCCC5)CC3)cccc21
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)15-29-13-10-17-19(29)5-3-7-20(17)30-16-8-11-28(12-9-16)14-22-27-18-4-1-2-6-21(18)31-22/h3,5,7,10,13,16H,1-2,4,6,8-9,11-12,14-15H2
InChIKeyAWMWHZCXJIHULO-UHFFFAOYSA-N
XLogP5.11
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole
CID 126952626
4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952593
4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952690
1-[2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]ethyl]azepan-2-one
CID 126952666
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952652
2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
CID 126952712
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
CID 126952577
3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126952560
4-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952632
4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol
CID 126952711
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide
CID 126952684

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 126952627) is 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole is FC(F)(F)Cn1ccc2c(OC3CCN(Cc4nc5c(o4)CCCC5)CC3)cccc21.
What is the InChIKey of 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is AWMWHZCXJIHULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-23(25,26)15-29-13-10-17-19(29)5-3-7-20(17)30-16-8-11-28(12-9-16)14-22-27-18-4-1-2-6-21(18)31-22/h3,5,7,10,13,16H,1-2,4,6,8-9,11-12,14-15H2.
What are the key properties of 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole?
2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 433.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 126952627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).