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

C25H22N2O6S — CID 16617005

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C25H22N2O6S/c1-17-23(26-24(33-17)18-8-4-3-5-9-18)16-32-25(28)21-10-6-7-11-22(21)27-34(29,30)20-14-12-19(31-2)13-15-20/h3-15,27H,16H2,1-2H3
InChIKeyCXAWKARSZAGMAJ-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.82
Rot. Bonds8

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 16617005) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID16617005
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C25H22N2O6S/c1-17-23(26-24(33-17)18-8-4-3-5-9-18)16-32-25(28)21-10-6-7-11-22(21)27-34(29,30)20-14-12-19(31-2)13-15-20/h3-15,27H,16H2,1-2H3
InChIKeyCXAWKARSZAGMAJ-UHFFFAOYSA-N
XLogP4.82
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16588852
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16619794
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
CID 16588780
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 16588954
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-hydroxy-3-methylbenzoate
CID 16588903
methyl 1-benzyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfonylamino]pyrazole-4-carboxylate
CID 11341956
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 16605196
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-2-nitrobenzoate
CID 16797367

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 16617005) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is CXAWKARSZAGMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-17-23(26-24(33-17)18-8-4-3-5-9-18)16-32-25(28)21-10-6-7-11-22(21)27-34(29,30)20-14-12-19(31-2)13-15-20/h3-15,27H,16H2,1-2H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 478.53 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16617005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).