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

C6H7N2O3S- — CID 6964079

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCc1nnc(SCC(=O)[O-])o1
InChIInChI=1S/C6H8N2O3S/c1-2-4-7-8-6(11-4)12-3-5(9)10/h2-3H2,1H3,(H,9,10)/p-1
InChIKeyGJCMPTMRMSGIAX-UHFFFAOYSA-M
MW187.20 g/mol
LogP-0.53
Rot. Bonds4

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 6964079) has the molecular formula C6H7N2O3S- and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID6964079
Molecular FormulaC6H7N2O3S-
Molecular Weight187.20 g/mol
Exact Mass187.02
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCc1nnc(SCC(=O)[O-])o1
InChIInChI=1S/C6H8N2O3S/c1-2-4-7-8-6(11-4)12-3-5(9)10/h2-3H2,1H3,(H,9,10)/p-1
InChIKeyGJCMPTMRMSGIAX-UHFFFAOYSA-M
XLogP-0.53
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 6964079) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is CCc1nnc(SCC(=O)[O-])o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is GJCMPTMRMSGIAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O3S/c1-2-4-7-8-6(11-4)12-3-5(9)10/h2-3H2,1H3,(H,9,10)/p-1.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 187.20 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 6964079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).