2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol

C12H15NO5S2 — CID 60563039

IUPAC2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol
SMILESO=S(=O)(CCOCCO)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C12H15NO5S2/c14-3-4-17-5-7-20(15,16)9-10-8-18-12(13-10)11-2-1-6-19-11/h1-2,6,8,14H,3-5,7,9H2
InChIKeyKTVBMUDENAAZCG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.33
Rot. Bonds8

About 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol

2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol (PubChem CID 60563039) has the molecular formula C12H15NO5S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol
PubChem CID60563039
Molecular FormulaC12H15NO5S2
Molecular Weight317.39 g/mol
Exact Mass317.04
IUPAC Name2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol
SMILESO=S(=O)(CCOCCO)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C12H15NO5S2/c14-3-4-17-5-7-20(15,16)9-10-8-18-12(13-10)11-2-1-6-19-11/h1-2,6,8,14H,3-5,7,9H2
InChIKeyKTVBMUDENAAZCG-UHFFFAOYSA-N
XLogP1.33
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 51333896
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
3-(3-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 47035268
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
(3aR,7aR)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98366131
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol (CID 60563039) is 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol is O=S(=O)(CCOCCO)Cc1coc(-c2cccs2)n1.
What is the InChIKey of 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol?
The InChIKey is KTVBMUDENAAZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S2/c14-3-4-17-5-7-20(15,16)9-10-8-18-12(13-10)11-2-1-6-19-11/h1-2,6,8,14H,3-5,7,9H2.
What are the key properties of 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol?
2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol has a molecular weight of 317.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol is sourced from PubChem (CID 60563039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).