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

C19H17FN2O5S — CID 75368182

IUPAC3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C19H17FN2O5S/c1-11-3-9-15(10-4-11)28(25,26)22-12(2)16-17(21-27-18(16)19(23)24)13-5-7-14(20)8-6-13/h3-10,12,22H,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyWZADOXKJDCZXHU-GFCCVEGCSA-N
MW404.42 g/mol
LogP3.53
Rot. Bonds6

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

3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368182) has the molecular formula C19H17FN2O5S and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368182
Molecular FormulaC19H17FN2O5S
Molecular Weight404.42 g/mol
Exact Mass404.08
IUPAC Name3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C19H17FN2O5S/c1-11-3-9-15(10-4-11)28(25,26)22-12(2)16-17(21-27-18(16)19(23)24)13-5-7-14(20)8-6-13/h3-10,12,22H,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyWZADOXKJDCZXHU-GFCCVEGCSA-N
XLogP3.53
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.53
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-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368182) is 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid is Cc1ccc(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-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is WZADOXKJDCZXHU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17FN2O5S/c1-11-3-9-15(10-4-11)28(25,26)22-12(2)16-17(21-27-18(16)19(23)24)13-5-7-14(20)8-6-13/h3-10,12,22H,1-2H3,(H,23,24)/t12-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 404.42 g/mol, XLogP of 3.53, 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-[(4-methylphenyl)sulfonylamino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).