2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid

C18H15FN2O6S — CID 11949389

IUPAC2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
SMILESCOc1ccc(-c2oc(CC(=O)O)nc2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H15FN2O6S/c1-26-14-7-4-11(8-13(14)19)18-17(21-15(27-18)9-16(22)23)10-2-5-12(6-3-10)28(20,24)25/h2-8H,9H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyBQEJGRJQSGGROU-UHFFFAOYSA-N
MW406.39 g/mol
LogP2.43
Rot. Bonds6

About 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid

2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 11949389) has the molecular formula C18H15FN2O6S and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
PubChem CID11949389
Molecular FormulaC18H15FN2O6S
Molecular Weight406.39 g/mol
Exact Mass406.06
IUPAC Name2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
SMILESCOc1ccc(-c2oc(CC(=O)O)nc2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H15FN2O6S/c1-26-14-7-4-11(8-13(14)19)18-17(21-15(27-18)9-16(22)23)10-2-5-12(6-3-10)28(20,24)25/h2-8H,9H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyBQEJGRJQSGGROU-UHFFFAOYSA-N
XLogP2.43
TPSA132.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid (CID 11949389) is 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid is COc1ccc(-c2oc(CC(=O)O)nc2-c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is BQEJGRJQSGGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O6S/c1-26-14-7-4-11(8-13(14)19)18-17(21-15(27-18)9-16(22)23)10-2-5-12(6-3-10)28(20,24)25/h2-8H,9H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 406.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 11949389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).