2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole

C8H8N2O2S — CID 53017470

IUPAC2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cccs2)o1
InChIInChI=1S/C8H8N2O2S/c1-11-5-7-9-10-8(12-7)6-3-2-4-13-6/h2-4H,5H2,1H3
InChIKeyNHCIIYWYVKZEMK-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.94
Rot. Bonds3

About 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole

2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 53017470) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID53017470
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cccs2)o1
InChIInChI=1S/C8H8N2O2S/c1-11-5-7-9-10-8(12-7)6-3-2-4-13-6/h2-4H,5H2,1H3
InChIKeyNHCIIYWYVKZEMK-UHFFFAOYSA-N
XLogP1.94
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 53017470) is 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole is COCc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is NHCIIYWYVKZEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-11-5-7-9-10-8(12-7)6-3-2-4-13-6/h2-4H,5H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 196.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53017470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).