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

C17H18F3N3O3 — CID 121021963

IUPACN-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)13-3-1-11(2-4-13)9-14(24)21-10-15-22-16(23-26-15)12-5-7-25-8-6-12/h1-4,12H,5-10H2,(H,21,24)
InChIKeyXSPJKQKAIBXOFG-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.84
Rot. Bonds5

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

N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 121021963) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID121021963
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)13-3-1-11(2-4-13)9-14(24)21-10-15-22-16(23-26-15)12-5-7-25-8-6-12/h1-4,12H,5-10H2,(H,21,24)
InChIKeyXSPJKQKAIBXOFG-UHFFFAOYSA-N
XLogP2.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(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

2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 122160536
4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121021939
N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 119104794
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide
CID 121021957
3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 171136875
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90608052
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 65334732
[3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 66755803
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161
N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 122245423
2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
CID 47063305
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 121021963) is N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCc1nc(C2CCOCC2)no1.
What is the InChIKey of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XSPJKQKAIBXOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)13-3-1-11(2-4-13)9-14(24)21-10-15-22-16(23-26-15)12-5-7-25-8-6-12/h1-4,12H,5-10H2,(H,21,24).
What are the key properties of N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121021963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).