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

C19H17FN2O6S — CID 75368181

IUPAC3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C19H17FN2O6S/c1-11(22-29(25,26)15-9-7-14(27-2)8-10-15)16-17(21-28-18(16)19(23)24)12-3-5-13(20)6-4-12/h3-11,22H,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyXMWFNCBRHFHKRK-LLVKDONJSA-N
MW420.42 g/mol
LogP3.23
Rot. Bonds7

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

3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368181) has the molecular formula C19H17FN2O6S and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368181
Molecular FormulaC19H17FN2O6S
Molecular Weight420.42 g/mol
Exact Mass420.08
IUPAC Name3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C19H17FN2O6S/c1-11(22-29(25,26)15-9-7-14(27-2)8-10-15)16-17(21-28-18(16)19(23)24)12-3-5-13(20)6-4-12/h3-11,22H,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyXMWFNCBRHFHKRK-LLVKDONJSA-N
XLogP3.23
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]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-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368181) is 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid is COc1ccc(S(=O)(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is XMWFNCBRHFHKRK-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN2O6S/c1-11(22-29(25,26)15-9-7-14(27-2)8-10-15)16-17(21-28-18(16)19(23)24)12-3-5-13(20)6-4-12/h3-11,22H,1-2H3,(H,23,24)/t11-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 420.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxyphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).