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

C19H22F3N3O4 — CID 126820143

IUPAC2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1noc(C2(NC(=O)C(O)c3cccc(C(F)(F)F)c3)CCOCC2)n1
InChIInChI=1S/C19H22F3N3O4/c1-11(2)15-23-17(29-25-15)18(6-8-28-9-7-18)24-16(27)14(26)12-4-3-5-13(10-12)19(20,21)22/h3-5,10-11,14,26H,6-9H2,1-2H3,(H,24,27)
InChIKeyZDJHZDXVRWISAH-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.07
Rot. Bonds5

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

2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 126820143) has the molecular formula C19H22F3N3O4 and a molecular weight of 413.40 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID126820143
Molecular FormulaC19H22F3N3O4
Molecular Weight413.40 g/mol
Exact Mass413.16
IUPAC Name2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1noc(C2(NC(=O)C(O)c3cccc(C(F)(F)F)c3)CCOCC2)n1
InChIInChI=1S/C19H22F3N3O4/c1-11(2)15-23-17(29-25-15)18(6-8-28-9-7-18)24-16(27)14(26)12-4-3-5-13(10-12)19(20,21)22/h3-5,10-11,14,26H,6-9H2,1-2H3,(H,24,27)
InChIKeyZDJHZDXVRWISAH-UHFFFAOYSA-N
XLogP3.07
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
N-[(4-hydroxyoxan-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]butanamide
CID 111486072
N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479856
2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(4-methyloxan-4-yl)acetamide
CID 138750965
3-(2-methylpropyl)-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,2,4-oxadiazole
CID 154748305
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116765461
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 86993489
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
methyl 5-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 166193099

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 126820143) is 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)c1noc(C2(NC(=O)C(O)c3cccc(C(F)(F)F)c3)CCOCC2)n1.
What is the InChIKey of 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZDJHZDXVRWISAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4/c1-11(2)15-23-17(29-25-15)18(6-8-28-9-7-18)24-16(27)14(26)12-4-3-5-13(10-12)19(20,21)22/h3-5,10-11,14,26H,6-9H2,1-2H3,(H,24,27).
What are the key properties of 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 413.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126820143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).