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

C26H22N2O6S — CID 35519072

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)OCc3ncc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C26H22N2O6S/c1-32-22-12-10-21(11-13-22)28-35(30,31)23-14-7-19(8-15-23)9-16-26(29)33-18-25-27-17-24(34-25)20-5-3-2-4-6-20/h2-17,28H,18H2,1H3/b16-9+
InChIKeyKDIFYDKXXXGUOS-CXUHLZMHSA-N
MW490.54 g/mol
LogP4.91
Rot. Bonds9

About (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate

(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate (PubChem CID 35519072) has the molecular formula C26H22N2O6S and a molecular weight of 490.54 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
PubChem CID35519072
Molecular FormulaC26H22N2O6S
Molecular Weight490.54 g/mol
Exact Mass490.12
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)OCc3ncc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C26H22N2O6S/c1-32-22-12-10-21(11-13-22)28-35(30,31)23-14-7-19(8-15-23)9-16-26(29)33-18-25-27-17-24(34-25)20-5-3-2-4-6-20/h2-17,28H,18H2,1H3/b16-9+
InChIKeyKDIFYDKXXXGUOS-CXUHLZMHSA-N
XLogP4.91
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519063
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663862
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971823
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
(2-ethyl-1,3-thiazol-4-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 24670798
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925967
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 43029907
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
CID 16595735
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7971522
[1-(benzylamino)-1-oxopropan-2-yl] 3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 4832601
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 41496961

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate (CID 35519072) is (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate is COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)OCc3ncc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The InChIKey is KDIFYDKXXXGUOS-CXUHLZMHSA-N. The full InChI is InChI=1S/C26H22N2O6S/c1-32-22-12-10-21(11-13-22)28-35(30,31)23-14-7-19(8-15-23)9-16-26(29)33-18-25-27-17-24(34-25)20-5-3-2-4-6-20/h2-17,28H,18H2,1H3/b16-9+.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate has a molecular weight of 490.54 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate is sourced from PubChem (CID 35519072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).