N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C16H18F3N3O3 — CID 167881463

IUPACN-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C(C)(O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H18F3N3O3/c1-9(23)21-14(2,3)12-20-13(25-22-12)15(4,24)10-6-5-7-11(8-10)16(17,18)19/h5-8,24H,1-4H3,(H,21,23)
InChIKeyPXOVZHUKFUHSBD-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.72
Rot. Bonds4

About N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 167881463) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID167881463
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC NameN-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C(C)(O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H18F3N3O3/c1-9(23)21-14(2,3)12-20-13(25-22-12)15(4,24)10-6-5-7-11(8-10)16(17,18)19/h5-8,24H,1-4H3,(H,21,23)
InChIKeyPXOVZHUKFUHSBD-UHFFFAOYSA-N
XLogP2.72
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide 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

3-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one
CID 154792747
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 138009431
3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 167768921
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 71935688
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide
CID 51099056
N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide
CID 167870296
N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71876202
N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834493
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 82007871

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 167881463) is N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(C(C)(O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is PXOVZHUKFUHSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-9(23)21-14(2,3)12-20-13(25-22-12)15(4,24)10-6-5-7-11(8-10)16(17,18)19/h5-8,24H,1-4H3,(H,21,23).
What are the key properties of N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 357.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 167881463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).