tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C10H16N2O3S2 — CID 47132283

IUPACtert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCSCc1nnc(SCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H16N2O3S2/c1-10(2,3)15-8(13)6-17-9-12-11-7(14-9)5-16-4/h5-6H2,1-4H3
InChIKeyWAEYVHBXOXVHQQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.37
Rot. Bonds5

About tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 47132283) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID47132283
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Nametert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCSCc1nnc(SCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H16N2O3S2/c1-10(2,3)15-8(13)6-17-9-12-11-7(14-9)5-16-4/h5-6H2,1-4H3
InChIKeyWAEYVHBXOXVHQQ-UHFFFAOYSA-N
XLogP2.37
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 47132283) is tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is CSCc1nnc(SCC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is WAEYVHBXOXVHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-10(2,3)15-8(13)6-17-9-12-11-7(14-9)5-16-4/h5-6H2,1-4H3.
What are the key properties of tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 276.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 47132283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).