2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid

C26H21F3N2O7 — CID 44627415

IUPAC2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C26H21F3N2O7/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(37-22)16-3-6-18(7-4-16)38-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
InChIKeyWFRIQMIPJKSYEH-UHFFFAOYSA-N
MW530.46 g/mol
LogP5.66
Rot. Bonds10

About 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid

2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 44627415) has the molecular formula C26H21F3N2O7 and a molecular weight of 530.46 g/mol. Its IUPAC name is 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID44627415
Molecular FormulaC26H21F3N2O7
Molecular Weight530.46 g/mol
Exact Mass530.13
IUPAC Name2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C26H21F3N2O7/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(37-22)16-3-6-18(7-4-16)38-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
InChIKeyWFRIQMIPJKSYEH-UHFFFAOYSA-N
XLogP5.66
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 44627415) is 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is WFRIQMIPJKSYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O7/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(37-22)16-3-6-18(7-4-16)38-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33).
What are the key properties of 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 530.46 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 44627415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).