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

C17H12F2N2O5S — CID 11947996

IUPAC2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2nc(CC(=O)O)oc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H12F2N2O5S/c18-12-6-3-10(7-13(12)19)17-16(21-14(26-17)8-15(22)23)9-1-4-11(5-2-9)27(20,24)25/h1-7H,8H2,(H,22,23)(H2,20,24,25)
InChIKeyAJFPXSPVTUPFFX-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.56
Rot. Bonds5

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

2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 11947996) has the molecular formula C17H12F2N2O5S and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
PubChem CID11947996
Molecular FormulaC17H12F2N2O5S
Molecular Weight394.36 g/mol
Exact Mass394.04
IUPAC Name2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2nc(CC(=O)O)oc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H12F2N2O5S/c18-12-6-3-10(7-13(12)19)17-16(21-14(26-17)8-15(22)23)9-1-4-11(5-2-9)27(20,24)25/h1-7H,8H2,(H,22,23)(H2,20,24,25)
InChIKeyAJFPXSPVTUPFFX-UHFFFAOYSA-N
XLogP2.56
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid (CID 11947996) is 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid is NS(=O)(=O)c1ccc(-c2nc(CC(=O)O)oc2-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is AJFPXSPVTUPFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O5S/c18-12-6-3-10(7-13(12)19)17-16(21-14(26-17)8-15(22)23)9-1-4-11(5-2-9)27(20,24)25/h1-7H,8H2,(H,22,23)(H2,20,24,25).
What are the key properties of 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 394.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 11947996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).