N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C7H13N3O2 — CID 62136842

IUPACN-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(COC)o1
InChIInChI=1S/C7H13N3O2/c1-3-8-4-6-9-10-7(12-6)5-11-2/h8H,3-5H2,1-2H3
InChIKeyRIYRBXZTIMCVCC-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.33
Rot. Bonds5

About N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 62136842) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID62136842
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(COC)o1
InChIInChI=1S/C7H13N3O2/c1-3-8-4-6-9-10-7(12-6)5-11-2/h8H,3-5H2,1-2H3
InChIKeyRIYRBXZTIMCVCC-UHFFFAOYSA-N
XLogP0.33
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 62136842) is N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(COC)o1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is RIYRBXZTIMCVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-8-4-6-9-10-7(12-6)5-11-2/h8H,3-5H2,1-2H3.
What are the key properties of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 171.20 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62136842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).