N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide

C20H19F3N2O4 — CID 59652669

IUPACN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)cc1
InChIInChI=1S/C20H19F3N2O4/c1-28-16-7-5-13(6-8-16)10-18(26)24-12-14-3-2-4-15(9-14)17-11-19(27,29-25-17)20(21,22)23/h2-9,27H,10-12H2,1H3,(H,24,26)
InChIKeyOUEKBZIIQWJYQI-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.93
Rot. Bonds6

About N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 59652669) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID59652669
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)cc1
InChIInChI=1S/C20H19F3N2O4/c1-28-16-7-5-13(6-8-16)10-18(26)24-12-14-3-2-4-15(9-14)17-11-19(27,29-25-17)20(21,22)23/h2-9,27H,10-12H2,1H3,(H,24,26)
InChIKeyOUEKBZIIQWJYQI-UHFFFAOYSA-N
XLogP2.93
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)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

N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 59652606
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-4-methoxybenzenesulfonamide
CID 25030251
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 59652493
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 59652657
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]pyridine-3-carboxamide
CID 59652429
1-(4-chlorophenyl)-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652635
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
3-[3-[(1H-indol-4-ylmethylamino)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 59652629
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea
CID 25029773
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 67362753
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide (CID 59652669) is N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)cc1.
What is the InChIKey of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is OUEKBZIIQWJYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-28-16-7-5-13(6-8-16)10-18(26)24-12-14-3-2-4-15(9-14)17-11-19(27,29-25-17)20(21,22)23/h2-9,27H,10-12H2,1H3,(H,24,26).
What are the key properties of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 408.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 59652669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).