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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267201
4-(benzenesulfonyl)-5-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole
CID 5267221
4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267448
4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244710
2-[[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
CID 4599816
4-(4-methylphenyl)sulfonyl-5-(2-methylpropylsulfonyl)-2-thiophen-2-yl-1,3-oxazole
CID 23605503
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267311
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267265
4-(4-bromophenyl)sulfonyl-5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole
CID 5267500
4-ethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322547
5-(azepan-1-yl)-4-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole
CID 5267327
2-[[4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 91901875

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).