2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol

C9H16N2O2S — CID 43502552

IUPAC2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol
SMILESCC(C)(C)c1nc(CSCCO)no1
InChIInChI=1S/C9H16N2O2S/c1-9(2,3)8-10-7(11-13-8)6-14-5-4-12/h12H,4-6H2,1-3H3
InChIKeySNLOVJVTUCUBLU-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.59
Rot. Bonds4

About 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol (PubChem CID 43502552) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol
PubChem CID43502552
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol
SMILESCC(C)(C)c1nc(CSCCO)no1
InChIInChI=1S/C9H16N2O2S/c1-9(2,3)8-10-7(11-13-8)6-14-5-4-12/h12H,4-6H2,1-3H3
InChIKeySNLOVJVTUCUBLU-UHFFFAOYSA-N
XLogP1.59
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 43352518
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842
5-tert-butyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 130636836
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanol
CID 43502586
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl carbamimidothioate
CID 65211913
5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
CID 176864350
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
CID 104590238
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 38968683
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 134021413
3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole
CID 61372910

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol (CID 43502552) is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol is CC(C)(C)c1nc(CSCCO)no1.
What is the InChIKey of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol?
The InChIKey is SNLOVJVTUCUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2,3)8-10-7(11-13-8)6-14-5-4-12/h12H,4-6H2,1-3H3.
What are the key properties of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol?
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol has a molecular weight of 216.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 43502552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).