2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid

C29H25F3N2O7 — CID 20815018

IUPAC2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C29H25F3N2O7/c1-19-25(33-27(39-19)21-8-3-2-4-9-21)13-14-38-22-10-5-7-20(15-22)17-34(18-26(35)36)28(37)40-23-11-6-12-24(16-23)41-29(30,31)32/h2-12,15-16H,13-14,17-18H2,1H3,(H,35,36)
InChIKeyUNPDYLBPEBGGJA-UHFFFAOYSA-N
MW570.52 g/mol
LogP6.26
Rot. Bonds11

About 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid

2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid (PubChem CID 20815018) has the molecular formula C29H25F3N2O7 and a molecular weight of 570.52 g/mol. Its IUPAC name is 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid
PubChem CID20815018
Molecular FormulaC29H25F3N2O7
Molecular Weight570.52 g/mol
Exact Mass570.16
IUPAC Name2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C29H25F3N2O7/c1-19-25(33-27(39-19)21-8-3-2-4-9-21)13-14-38-22-10-5-7-20(15-22)17-34(18-26(35)36)28(37)40-23-11-6-12-24(16-23)41-29(30,31)32/h2-12,15-16H,13-14,17-18H2,1H3,(H,35,36)
InChIKeyUNPDYLBPEBGGJA-UHFFFAOYSA-N
XLogP6.26
TPSA111.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.52
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid 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

Muraglitazar
CID 206044
Imiglitazar
CID 9890879
GW 409544
CID 446642
(2s,3s)-1-(4-Methoxyphenyl)-3-(3-(2-(5-Methyl-2-Phenyloxazol-4-Yl)ethoxy)benzyl)-4-Oxoazetidine-2-Carboxylic Acid
CID 10391684
Bms-687453
CID 16725047
Glycine, N-((5-((2-(4-chlorophenyl)-5-methyl-4-oxazolyl)methoxy)-2-fluorophenyl)methyl)-N-(methoxycarbonyl)-
CID 16727109
N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine
CID 45254002
(3R,4S)-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
CID 10346786
Methyl 7-(2-(2-(4-fluorophenyl)-5-methyloxazol-4-yl)ethoxy)-2-oxochroman-3-carboxylate
CID 25147839
Methyl 7-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25147933
Methyl 7-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25148012
Methyl 7-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25149125

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid?
The IUPAC name of 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid (CID 20815018) is 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid.
What is the SMILES notation for 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid?
The canonical SMILES for 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid?
The InChIKey is UNPDYLBPEBGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N2O7/c1-19-25(33-27(39-19)21-8-3-2-4-9-21)13-14-38-22-10-5-7-20(15-22)17-34(18-26(35)36)28(37)40-23-11-6-12-24(16-23)41-29(30,31)32/h2-12,15-16H,13-14,17-18H2,1H3,(H,35,36).
What are the key properties of 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid?
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid has a molecular weight of 570.52 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[3-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid is sourced from PubChem (CID 20815018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).