3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole

C9H14N2O2S — CID 71870137

IUPAC3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCS2)n1
InChIInChI=1S/C9H14N2O2S/c1-12-5-4-8-10-9(13-11-8)7-3-2-6-14-7/h7H,2-6H2,1H3
InChIKeySKKUFNHBPBRFDZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole (PubChem CID 71870137) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
PubChem CID71870137
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCS2)n1
InChIInChI=1S/C9H14N2O2S/c1-12-5-4-8-10-9(13-11-8)7-3-2-6-14-7/h7H,2-6H2,1H3
InChIKeySKKUFNHBPBRFDZ-UHFFFAOYSA-N
XLogP1.83
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 131937175
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 66470286
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201156
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 118769492
3-chloro-5-(thian-2-yl)-1,2,4-oxadiazole
CID 112572106
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
2-(methoxymethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole
CID 130693373
1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855602
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole (CID 71870137) is 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole is COCCc1noc(C2CCCS2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is SKKUFNHBPBRFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-12-5-4-8-10-9(13-11-8)7-3-2-6-14-7/h7H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 214.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71870137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).