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

C20H19FN2O6S — CID 11948091

IUPACethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C20H19FN2O6S/c1-3-28-18(24)11-17-23-19(12-4-7-14(8-5-12)30(22,25)26)20(29-17)13-6-9-16(27-2)15(21)10-13/h4-10H,3,11H2,1-2H3,(H2,22,25,26)
InChIKeyQQNHUCKWZOXKJX-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.91
Rot. Bonds7

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

ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate (PubChem CID 11948091) has the molecular formula C20H19FN2O6S and a molecular weight of 434.45 g/mol. Its IUPAC name is ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
PubChem CID11948091
Molecular FormulaC20H19FN2O6S
Molecular Weight434.45 g/mol
Exact Mass434.09
IUPAC Nameethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C20H19FN2O6S/c1-3-28-18(24)11-17-23-19(12-4-7-14(8-5-12)30(22,25)26)20(29-17)13-6-9-16(27-2)15(21)10-13/h4-10H,3,11H2,1-2H3,(H2,22,25,26)
InChIKeyQQNHUCKWZOXKJX-UHFFFAOYSA-N
XLogP2.91
TPSA121.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate (CID 11948091) is ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)o1.
What is the InChIKey of ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The InChIKey is QQNHUCKWZOXKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O6S/c1-3-28-18(24)11-17-23-19(12-4-7-14(8-5-12)30(22,25)26)20(29-17)13-6-9-16(27-2)15(21)10-13/h4-10H,3,11H2,1-2H3,(H2,22,25,26).
What are the key properties of ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate has a molecular weight of 434.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate is sourced from PubChem (CID 11948091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).