About 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid
2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid (PubChem CID 50923101) has the molecular formula C28H25FN2O5
and a molecular weight of 488.52 g/mol. Its IUPAC name is 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid.
Molecular Properties
| Compound Name | 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid |
|---|
| PubChem CID | 50923101 |
|---|
| Molecular Formula | C28H25FN2O5 |
|---|
| Molecular Weight | 488.52 g/mol |
|---|
| Exact Mass | 488.17 |
|---|
| IUPAC Name | 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid |
|---|
| SMILES | Cc1onc(-c2ccc(Cc3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1F |
|---|
| InChI | InChI=1S/C28H25FN2O5/c1-17(23-5-3-4-6-24(23)29)35-28(34)30-26-18(2)36-31-27(26)22-13-11-20(12-14-22)15-19-7-9-21(10-8-19)16-25(32)33/h3-14,17H,15-16H2,1-2H3,(H,30,34)(H,32,33)/t17-/m1/s1 |
|---|
| InChIKey | SHQIWVLHXQPQMC-QGZVFWFLSA-N |
|---|
| XLogP | 6.32 |
|---|
| TPSA | 101.66 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 488.52 |
| LogP ≤ 5 | 6.32 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]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-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid (CID 50923101) is 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid is Cc1onc(-c2ccc(Cc3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1F.
What is the InChIKey of 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid?
The InChIKey is SHQIWVLHXQPQMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H25FN2O5/c1-17(23-5-3-4-6-24(23)29)35-28(34)30-26-18(2)36-31-27(26)22-13-11-20(12-14-22)15-19-7-9-21(10-8-19)16-25(32)33/h3-14,17H,15-16H2,1-2H3,(H,30,34)(H,32,33)/t17-/m1/s1.
What are the key properties of 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid?
2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid has a molecular weight of 488.52 g/mol, XLogP of 6.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methyl]phenyl]acetic acid is sourced from PubChem (CID 50923101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).