5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole

C12H13NO4S — CID 134856640

IUPAC5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCCOc1ocnc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H13NO4S/c1-3-16-12-11(13-8-17-12)18(14,15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyVGLHIAOTARFFKX-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.21
Rot. Bonds4

About 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole

5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 134856640) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID134856640
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCCOc1ocnc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H13NO4S/c1-3-16-12-11(13-8-17-12)18(14,15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyVGLHIAOTARFFKX-UHFFFAOYSA-N
XLogP2.21
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 134856640) is 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole is CCOc1ocnc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is VGLHIAOTARFFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-3-16-12-11(13-8-17-12)18(14,15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 267.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 134856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).