[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol

C12H14N2O3S2 — CID 111975971

IUPAC[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol
SMILESOCC1(CSc2nnc(Cc3cccs3)o2)COC1
InChIInChI=1S/C12H14N2O3S2/c15-5-12(6-16-7-12)8-19-11-14-13-10(17-11)4-9-2-1-3-18-9/h1-3,15H,4-8H2
InChIKeyRBPVGFQUBOSXKL-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.82
Rot. Bonds6

About [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol

[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol (PubChem CID 111975971) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol
PubChem CID111975971
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol
SMILESOCC1(CSc2nnc(Cc3cccs3)o2)COC1
InChIInChI=1S/C12H14N2O3S2/c15-5-12(6-16-7-12)8-19-11-14-13-10(17-11)4-9-2-1-3-18-9/h1-3,15H,4-8H2
InChIKeyRBPVGFQUBOSXKL-UHFFFAOYSA-N
XLogP1.82
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol
CID 111975961
(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
CID 99825469
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071471
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 71915302
(2S)-N,N-dimethyl-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 95168572
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42109993
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 102630549
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
2-[(2R,3R)-3-quinolin-2-ylbutan-2-yl]sulfanyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 96528286
[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
CID 111975959

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol (CID 111975971) is [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol is OCC1(CSc2nnc(Cc3cccs3)o2)COC1.
What is the InChIKey of [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol?
The InChIKey is RBPVGFQUBOSXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c15-5-12(6-16-7-12)8-19-11-14-13-10(17-11)4-9-2-1-3-18-9/h1-3,15H,4-8H2.
What are the key properties of [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol?
[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol has a molecular weight of 298.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111975971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).