4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole

C19H19NO5S — CID 142678572

IUPAC4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCCOc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)noc2C)cc1
InChIInChI=1S/C19H19NO5S/c1-4-23-15-7-9-16(10-8-15)24-19-13(2)25-20-18(19)14-5-11-17(12-6-14)26(3,21)22/h5-12H,4H2,1-3H3
InChIKeySCMAWWPTKAVDHX-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.24
Rot. Bonds6

About 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole

4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole (PubChem CID 142678572) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole
PubChem CID142678572
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCCOc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)noc2C)cc1
InChIInChI=1S/C19H19NO5S/c1-4-23-15-7-9-16(10-8-15)24-19-13(2)25-20-18(19)14-5-11-17(12-6-14)26(3,21)22/h5-12H,4H2,1-3H3
InChIKeySCMAWWPTKAVDHX-UHFFFAOYSA-N
XLogP4.24
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole (CID 142678572) is 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole is CCOc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)noc2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The InChIKey is SCMAWWPTKAVDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-4-23-15-7-9-16(10-8-15)24-19-13(2)25-20-18(19)14-5-11-17(12-6-14)26(3,21)22/h5-12H,4H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole has a molecular weight of 373.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole is sourced from PubChem (CID 142678572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).