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

C20H19ClN2O5S — CID 16588563

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-14-18(23-20(28-14)15-5-3-2-4-6-15)13-27-19(24)11-12-22-29(25,26)17-9-7-16(21)8-10-17/h2-10,22H,11-13H2,1H3
InChIKeyAZGRZEOQKGBYFX-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.72
Rot. Bonds8

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 16588563) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID16588563
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-14-18(23-20(28-14)15-5-3-2-4-6-15)13-27-19(24)11-12-22-29(25,26)17-9-7-16(21)8-10-17/h2-10,22H,11-13H2,1H3
InChIKeyAZGRZEOQKGBYFX-UHFFFAOYSA-N
XLogP3.72
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55505433
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 16612344
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 16589137
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid
CID 11611667
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 18275248
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16588852

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate (CID 16588563) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate is Cc1oc(-c2ccccc2)nc1COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is AZGRZEOQKGBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-14-18(23-20(28-14)15-5-3-2-4-6-15)13-27-19(24)11-12-22-29(25,26)17-9-7-16(21)8-10-17/h2-10,22H,11-13H2,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 434.90 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 16588563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).