(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol

C16H16N2O4S — CID 94800523

IUPAC(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CSc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H16N2O4S/c19-13(10-20-9-12-5-2-1-3-6-12)11-23-16-18-17-15(22-16)14-7-4-8-21-14/h1-8,13,19H,9-11H2/t13-/m0/s1
InChIKeyGMLSGXWFNPYDEK-ZDUSSCGKSA-N
MW332.38 g/mol
LogP3.00
Rot. Bonds8

About (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol

(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol (PubChem CID 94800523) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol
PubChem CID94800523
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CSc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H16N2O4S/c19-13(10-20-9-12-5-2-1-3-6-12)11-23-16-18-17-15(22-16)14-7-4-8-21-14/h1-8,13,19H,9-11H2/t13-/m0/s1
InChIKeyGMLSGXWFNPYDEK-ZDUSSCGKSA-N
XLogP3.00
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol with MolForge

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Related Compounds

1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51073499
1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 60670624
N-benzyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 7374058
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2399025
1-(4-benzylpiperazin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 8663343
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol
CID 60670961
1-(4-ethoxyphenoxy)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51223037
3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol
CID 139514349
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 18201786
2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 134066521
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 8851381

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol (CID 94800523) is (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol is O[C@@H](COCc1ccccc1)CSc1nnc(-c2ccco2)o1.
What is the InChIKey of (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol?
The InChIKey is GMLSGXWFNPYDEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-13(10-20-9-12-5-2-1-3-6-12)11-23-16-18-17-15(22-16)14-7-4-8-21-14/h1-8,13,19H,9-11H2/t13-/m0/s1.
What are the key properties of (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol?
(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol has a molecular weight of 332.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 94800523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).