4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole

C15H13NO4S2 — CID 14931733

IUPAC4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole
SMILESCCOc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S2/c1-2-19-15-14(16-13(20-15)12-9-6-10-21-12)22(17,18)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyNIXGFSSXAQOZSH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.63
Rot. Bonds5

About 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole

4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole (PubChem CID 14931733) has the molecular formula C15H13NO4S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole
PubChem CID14931733
Molecular FormulaC15H13NO4S2
Molecular Weight335.41 g/mol
Exact Mass335.03
IUPAC Name4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole
SMILESCCOc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S2/c1-2-19-15-14(16-13(20-15)12-9-6-10-21-12)22(17,18)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyNIXGFSSXAQOZSH-UHFFFAOYSA-N
XLogP3.63
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole (CID 14931733) is 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole is CCOc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is NIXGFSSXAQOZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S2/c1-2-19-15-14(16-13(20-15)12-9-6-10-21-12)22(17,18)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole?
4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 335.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 14931733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).