3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid

C20H17FN2O5 — CID 75368162

IUPAC3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)COc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C20H17FN2O5/c1-12(22-16(24)11-27-15-5-3-2-4-6-15)17-18(23-28-19(17)20(25)26)13-7-9-14(21)10-8-13/h2-10,12H,11H2,1H3,(H,22,24)(H,25,26)/t12-/m1/s1
InChIKeyRMWDMRMIBPPQTK-GFCCVEGCSA-N
MW384.36 g/mol
LogP3.44
Rot. Bonds7

About 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid

3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368162) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368162
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)COc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C20H17FN2O5/c1-12(22-16(24)11-27-15-5-3-2-4-6-15)17-18(23-28-19(17)20(25)26)13-7-9-14(21)10-8-13/h2-10,12H,11H2,1H3,(H,22,24)(H,25,26)/t12-/m1/s1
InChIKeyRMWDMRMIBPPQTK-GFCCVEGCSA-N
XLogP3.44
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368162) is 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is C[C@@H](NC(=O)COc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is RMWDMRMIBPPQTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-12(22-16(24)11-27-15-5-3-2-4-6-15)17-18(23-28-19(17)20(25)26)13-7-9-14(21)10-8-13/h2-10,12H,11H2,1H3,(H,22,24)(H,25,26)/t12-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 384.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).