5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide

C22H20F3N3O5 — CID 173062314

IUPAC5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)oc1CCc1ccccc1
InChIInChI=1S/C22H20F3N3O5/c23-22(24,25)33-16-9-7-15(8-10-16)31-13-18(29)27-12-19-28-20(21(26)30)17(32-19)11-6-14-4-2-1-3-5-14/h1-5,7-10H,6,11-13H2,(H2,26,30)(H,27,29)
InChIKeyQUJZVTJDWDIIMU-UHFFFAOYSA-N
MW463.41 g/mol
LogP3.15
Rot. Bonds10

About 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide

5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 173062314) has the molecular formula C22H20F3N3O5 and a molecular weight of 463.41 g/mol. Its IUPAC name is 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID173062314
Molecular FormulaC22H20F3N3O5
Molecular Weight463.41 g/mol
Exact Mass463.14
IUPAC Name5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)oc1CCc1ccccc1
InChIInChI=1S/C22H20F3N3O5/c23-22(24,25)33-16-9-7-15(8-10-16)31-13-18(29)27-12-19-28-20(21(26)30)17(32-19)11-6-14-4-2-1-3-5-14/h1-5,7-10H,6,11-13H2,(H2,26,30)(H,27,29)
InChIKeyQUJZVTJDWDIIMU-UHFFFAOYSA-N
XLogP3.15
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide 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

5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062397
[2-(benzylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2353376
N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 11554446
5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062272
2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 87873252
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412
5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062956
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenoxyacetamide
CID 110319129

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 173062314) is 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide is NC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)oc1CCc1ccccc1.
What is the InChIKey of 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QUJZVTJDWDIIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O5/c23-22(24,25)33-16-9-7-15(8-10-16)31-13-18(29)27-12-19-28-20(21(26)30)17(32-19)11-6-14-4-2-1-3-5-14/h1-5,7-10H,6,11-13H2,(H2,26,30)(H,27,29).
What are the key properties of 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 463.41 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 173062314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).