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

C15H15FN2O5 — CID 75368160

IUPAC3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C15H15FN2O5/c1-8(17-11(19)7-22-2)12-13(18-23-14(12)15(20)21)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,19)(H,20,21)/t8-/m1/s1
InChIKeyFOIVJROFWRUEHC-MRVPVSSYSA-N
MW322.29 g/mol
LogP2.00
Rot. Bonds6

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

3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368160) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368160
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C15H15FN2O5/c1-8(17-11(19)7-22-2)12-13(18-23-14(12)15(20)21)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,19)(H,20,21)/t8-/m1/s1
InChIKeyFOIVJROFWRUEHC-MRVPVSSYSA-N
XLogP2.00
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic 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 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368160) is 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is COCC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FOIVJROFWRUEHC-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15FN2O5/c1-8(17-11(19)7-22-2)12-13(18-23-14(12)15(20)21)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,19)(H,20,21)/t8-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 322.29 g/mol, XLogP of 2.00, 6 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-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).