ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine

C9H21N3O2 — CID 169238091

IUPACethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCC.CC.CNc1nc(COC)no1
InChIInChI=1S/C5H9N3O2.2C2H6/c1-6-5-7-4(3-9-2)8-10-5;2*1-2/h3H2,1-2H3,(H,6,7,8);2*1-2H3
InChIKeyCVWJCICVZDRZBT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds3

About ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine

ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 169238091) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Nameethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID169238091
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Nameethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCC.CC.CNc1nc(COC)no1
InChIInChI=1S/C5H9N3O2.2C2H6/c1-6-5-7-4(3-9-2)8-10-5;2*1-2/h3H2,1-2H3,(H,6,7,8);2*1-2H3
InChIKeyCVWJCICVZDRZBT-UHFFFAOYSA-N
XLogP2.31
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 169238091) is ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine is CC.CC.CNc1nc(COC)no1.
What is the InChIKey of ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is CVWJCICVZDRZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2.2C2H6/c1-6-5-7-4(3-9-2)8-10-5;2*1-2/h3H2,1-2H3,(H,6,7,8);2*1-2H3.
What are the key properties of ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine?
ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 169238091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).