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

C20H17FN2O5 — CID 163002409

IUPAC3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(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)
InChIKeyRMWDMRMIBPPQTK-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.44
Rot. Bonds7

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

3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 163002409) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID163002409
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(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)
InChIKeyRMWDMRMIBPPQTK-UHFFFAOYSA-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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Related Compounds

3-(4-chlorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368145
3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368130
3-(4-fluorophenyl)-4-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368173
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 162935431
3-(4-fluorophenyl)-4-[(1R)-1-(oxane-4-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368175
3-(4-chlorophenyl)-4-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-5-carboxylic acid;hydrochloride
CID 127021197
3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide
CID 162800225
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide
CID 53108011
2-(3-fluorophenoxy)-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]acetamide
CID 110660794
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide
CID 97069041

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 163002409) is 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is CC(NC(=O)COc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is RMWDMRMIBPPQTK-UHFFFAOYSA-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).
What are the key properties of 3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[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-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 163002409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).