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

C18H22F3N3O2 — CID 56757456

IUPAC2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(CCO)CC1
InChIInChI=1S/C18H22F3N3O2/c1-13-16(12-24-7-5-23(6-8-24)9-10-25)22-17(26-13)14-3-2-4-15(11-14)18(19,20)21/h2-4,11,25H,5-10,12H2,1H3
InChIKeyYBFKCBBUBFBZOY-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.78
Rot. Bonds5

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

2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 56757456) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
PubChem CID56757456
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(CCO)CC1
InChIInChI=1S/C18H22F3N3O2/c1-13-16(12-24-7-5-23(6-8-24)9-10-25)22-17(26-13)14-3-2-4-15(11-14)18(19,20)21/h2-4,11,25H,5-10,12H2,1H3
InChIKeyYBFKCBBUBFBZOY-UHFFFAOYSA-N
XLogP2.78
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol (CID 56757456) is 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol is Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is YBFKCBBUBFBZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-13-16(12-24-7-5-23(6-8-24)9-10-25)22-17(26-13)14-3-2-4-15(11-14)18(19,20)21/h2-4,11,25H,5-10,12H2,1H3.
What are the key properties of 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 369.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 56757456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).