(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate

C18H16N2O5S — CID 24530422

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H16N2O5S/c1-26(22,23)20-16-10-6-5-9-15(16)18(21)24-12-14-11-17(25-19-14)13-7-3-2-4-8-13/h2-11,20H,12H2,1H3
InChIKeyRNJUUJOUSFIXED-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.07
Rot. Bonds6

About (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate (PubChem CID 24530422) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
PubChem CID24530422
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H16N2O5S/c1-26(22,23)20-16-10-6-5-9-15(16)18(21)24-12-14-11-17(25-19-14)13-7-3-2-4-8-13/h2-11,20H,12H2,1H3
InChIKeyRNJUUJOUSFIXED-UHFFFAOYSA-N
XLogP3.07
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55538730
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475167
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-fluorobenzoate
CID 8987480
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 46687610
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
(5-phenyl-1,2-oxazol-3-yl)methyl 2-amino-5-nitrobenzoate
CID 24527354
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate (CID 24530422) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate is CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate?
The InChIKey is RNJUUJOUSFIXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-26(22,23)20-16-10-6-5-9-15(16)18(21)24-12-14-11-17(25-19-14)13-7-3-2-4-8-13/h2-11,20H,12H2,1H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate has a molecular weight of 372.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 24530422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).