(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

C23H24N2O5S — CID 31712291

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N2O5S/c1-3-25(4-2)31(27,28)21-13-10-18(11-14-21)12-15-22(26)29-16-20-17-30-23(24-20)19-8-6-5-7-9-19/h5-15,17H,3-4,16H2,1-2H3/b15-12+
InChIKeyFEPUYLICAPDNJZ-NTCAYCPXSA-N
MW440.52 g/mol
LogP4.13
Rot. Bonds9

About (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (PubChem CID 31712291) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
PubChem CID31712291
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N2O5S/c1-3-25(4-2)31(27,28)21-13-10-18(11-14-21)12-15-22(26)29-16-20-17-30-23(24-20)19-8-6-5-7-9-19/h5-15,17H,3-4,16H2,1-2H3/b15-12+
InChIKeyFEPUYLICAPDNJZ-NTCAYCPXSA-N
XLogP4.13
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 31710711
(2-anilino-2-oxoethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2579080
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 42120681
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 4291108
(2-benzamido-2-oxoethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 55315296
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16569411
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 32775074
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16605202
(2-amino-2-oxo-1-phenylethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16596571
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543
[2-(4-methylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2579057
(3-cyanophenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 8815990

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (CID 31712291) is (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The InChIKey is FEPUYLICAPDNJZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-3-25(4-2)31(27,28)21-13-10-18(11-14-21)12-15-22(26)29-16-20-17-30-23(24-20)19-8-6-5-7-9-19/h5-15,17H,3-4,16H2,1-2H3/b15-12+.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate has a molecular weight of 440.52 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 31712291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).