methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate

C24H22F3NO5 — CID 69445289

IUPACmethyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)CCc2noc(-c3ccc(C(F)(F)F)cc3)c2C)cc1C
InChIInChI=1S/C24H22F3NO5/c1-14-12-17(6-11-21(14)32-13-22(30)31-3)20(29)10-9-19-15(2)23(33-28-19)16-4-7-18(8-5-16)24(25,26)27/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyZMQAATHFWHTEEA-UHFFFAOYSA-N
MW461.44 g/mol
LogP5.34
Rot. Bonds8

About methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate

methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate (PubChem CID 69445289) has the molecular formula C24H22F3NO5 and a molecular weight of 461.44 g/mol. Its IUPAC name is methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate
PubChem CID69445289
Molecular FormulaC24H22F3NO5
Molecular Weight461.44 g/mol
Exact Mass461.15
IUPAC Namemethyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)CCc2noc(-c3ccc(C(F)(F)F)cc3)c2C)cc1C
InChIInChI=1S/C24H22F3NO5/c1-14-12-17(6-11-21(14)32-13-22(30)31-3)20(29)10-9-19-15(2)23(33-28-19)16-4-7-18(8-5-16)24(25,26)27/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyZMQAATHFWHTEEA-UHFFFAOYSA-N
XLogP5.34
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate 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

1-(4-hydroxy-3-methylphenyl)-3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propan-1-one;2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetic acid
CID 159887897
methyl 2-[[7-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methylsulfanyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetate
CID 20827073
2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid
CID 71044220
methyl 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetate
CID 11259888
ethyl 3-[4-(2-hydroxy-2,2-diphenylacetyl)oxy-3-methylphenyl]-2-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methyl]-3-oxopropanoate
CID 69444556
2-methyl-2-[2-methyl-4-[3-[1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]propanoyl]phenoxy]propanoic acid
CID 52911588
3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one
CID 58230308
CID 87878385
CID 87878385
methyl 3-[2-methyl-4-[3-[3-propan-2-yl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]propanoyl]phenyl]propanoate
CID 69007255
2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]phenoxy]propanoic acid
CID 67418251
4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 23137152
2-methyl-2-[2-methyl-4-[3-[2-[4-(trifluoromethyl)phenyl]-4-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-5-yl]propanoyl]phenoxy]propanoate
CID 150575960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate (CID 69445289) is methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate is COC(=O)COc1ccc(C(=O)CCc2noc(-c3ccc(C(F)(F)F)cc3)c2C)cc1C.
What is the InChIKey of methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate?
The InChIKey is ZMQAATHFWHTEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO5/c1-14-12-17(6-11-21(14)32-13-22(30)31-3)20(29)10-9-19-15(2)23(33-28-19)16-4-7-18(8-5-16)24(25,26)27/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate?
methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate has a molecular weight of 461.44 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate is sourced from PubChem (CID 69445289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).