3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol

C12H15NO2S2 — CID 103705810

IUPAC3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H15NO2S2/c1-8(14)9(2)17-7-10-6-15-12(13-10)11-4-3-5-16-11/h3-6,8-9,14H,7H2,1-2H3
InChIKeyWIUJPGZZHMTEPH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.41
Rot. Bonds5

About 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol

3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol (PubChem CID 103705810) has the molecular formula C12H15NO2S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
PubChem CID103705810
Molecular FormulaC12H15NO2S2
Molecular Weight269.39 g/mol
Exact Mass269.05
IUPAC Name3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H15NO2S2/c1-8(14)9(2)17-7-10-6-15-12(13-10)11-4-3-5-16-11/h3-6,8-9,14H,7H2,1-2H3
InChIKeyWIUJPGZZHMTEPH-UHFFFAOYSA-N
XLogP3.41
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol with MolForge

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Related Compounds

(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
CID 103706114
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine
CID 66230325
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 17437492
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
CID 81444859
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)propan-1-ol
CID 115083578
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
N-(4-propan-2-ylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7754374
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392

Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
The IUPAC name of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol (CID 103705810) is 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol is CC(O)C(C)SCc1coc(-c2cccs2)n1.
What is the InChIKey of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
The InChIKey is WIUJPGZZHMTEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S2/c1-8(14)9(2)17-7-10-6-15-12(13-10)11-4-3-5-16-11/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol is sourced from PubChem (CID 103705810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).