methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate

C19H18N2O5S — CID 11948196

IUPACmethyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOC(=O)CCc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C19H18N2O5S/c1-25-17(22)12-11-16-21-18(13-5-3-2-4-6-13)19(26-16)14-7-9-15(10-8-14)27(20,23)24/h2-10H,11-12H2,1H3,(H2,20,23,24)
InChIKeyOVCISYVCYMHBKX-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.76
Rot. Bonds6

About methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate

methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 11948196) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID11948196
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Namemethyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOC(=O)CCc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C19H18N2O5S/c1-25-17(22)12-11-16-21-18(13-5-3-2-4-6-13)19(26-16)14-7-9-15(10-8-14)27(20,23)24/h2-10H,11-12H2,1H3,(H2,20,23,24)
InChIKeyOVCISYVCYMHBKX-UHFFFAOYSA-N
XLogP2.76
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate (CID 11948196) is methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate is COC(=O)CCc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is OVCISYVCYMHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-25-17(22)12-11-16-21-18(13-5-3-2-4-6-13)19(26-16)14-7-9-15(10-8-14)27(20,23)24/h2-10H,11-12H2,1H3,(H2,20,23,24).
What are the key properties of methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate?
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 386.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 11948196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).