methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

C7H10N2O3S — CID 8708294

IUPACmethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCc1nnc(SCC(=O)OC)o1
InChIInChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4-6(10)11-2/h3-4H2,1-2H3
InChIKeyDXEBNTITKIFGKX-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 8708294) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID8708294
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Namemethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCc1nnc(SCC(=O)OC)o1
InChIInChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4-6(10)11-2/h3-4H2,1-2H3
InChIKeyDXEBNTITKIFGKX-UHFFFAOYSA-N
XLogP0.90
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 8708294) is methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is CCc1nnc(SCC(=O)OC)o1.
What is the InChIKey of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is DXEBNTITKIFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4-6(10)11-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 202.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 8708294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).