4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine

C10H17N3O2S — CID 83200736

IUPAC4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
SMILESCCOCc1noc(C2CSCC2NC)n1
InChIInChI=1S/C10H17N3O2S/c1-3-14-4-9-12-10(15-13-9)7-5-16-6-8(7)11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyKQDIOWWDMSYLEK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.02
Rot. Bonds5

About 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine

4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine (PubChem CID 83200736) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
PubChem CID83200736
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
SMILESCCOCc1noc(C2CSCC2NC)n1
InChIInChI=1S/C10H17N3O2S/c1-3-14-4-9-12-10(15-13-9)7-5-16-6-8(7)11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyKQDIOWWDMSYLEK-UHFFFAOYSA-N
XLogP1.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The IUPAC name of 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine (CID 83200736) is 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine.
What is the SMILES notation for 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The canonical SMILES for 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine is CCOCc1noc(C2CSCC2NC)n1.
What is the InChIKey of 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The InChIKey is KQDIOWWDMSYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-14-4-9-12-10(15-13-9)7-5-16-6-8(7)11-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine has a molecular weight of 243.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine is sourced from PubChem (CID 83200736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).