methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate

C18H14ClFN2O5S — CID 11947914

IUPACmethyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C18H14ClFN2O5S/c1-26-16(23)9-15-22-17(10-2-5-12(6-3-10)28(21,24)25)18(27-15)11-4-7-14(20)13(19)8-11/h2-8H,9H2,1H3,(H2,21,24,25)
InChIKeyLUCJENNRYRVVJV-UHFFFAOYSA-N
MW424.84 g/mol
LogP3.16
Rot. Bonds5

About methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate

methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate (PubChem CID 11947914) has the molecular formula C18H14ClFN2O5S and a molecular weight of 424.84 g/mol. Its IUPAC name is methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
PubChem CID11947914
Molecular FormulaC18H14ClFN2O5S
Molecular Weight424.84 g/mol
Exact Mass424.03
IUPAC Namemethyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C18H14ClFN2O5S/c1-26-16(23)9-15-22-17(10-2-5-12(6-3-10)28(21,24)25)18(27-15)11-4-7-14(20)13(19)8-11/h2-8H,9H2,1H3,(H2,21,24,25)
InChIKeyLUCJENNRYRVVJV-UHFFFAOYSA-N
XLogP3.16
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 11949254
N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
CID 22505629
2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxyacetamide
CID 22505621
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196
2-[4-(3-chloro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505117
1-[[4-(3-chloro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]-1-hydroxyurea
CID 87973340
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
methyl 2-[5-phenyl-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 67623640
methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate
CID 163438884
[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl N-hydroxy-N-methylcarbamodithioate
CID 22505336
2-[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505648

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate (CID 11947914) is methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate is COC(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The InChIKey is LUCJENNRYRVVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O5S/c1-26-16(23)9-15-22-17(10-2-5-12(6-3-10)28(21,24)25)18(27-15)11-4-7-14(20)13(19)8-11/h2-8H,9H2,1H3,(H2,21,24,25).
What are the key properties of methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate has a molecular weight of 424.84 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate is sourced from PubChem (CID 11947914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).