N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine

C6H11N3O2 — CID 62336061

IUPACN-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine
SMILESCNCCOCc1ncon1
InChIInChI=1S/C6H11N3O2/c1-7-2-3-10-4-6-8-5-11-9-6/h5,7H,2-4H2,1H3
InChIKeyFVRQWZJFVVKVTF-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.19
Rot. Bonds5

About N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine

N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine (PubChem CID 62336061) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine
PubChem CID62336061
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC NameN-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine
SMILESCNCCOCc1ncon1
InChIInChI=1S/C6H11N3O2/c1-7-2-3-10-4-6-8-5-11-9-6/h5,7H,2-4H2,1H3
InChIKeyFVRQWZJFVVKVTF-UHFFFAOYSA-N
XLogP-0.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
The IUPAC name of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine (CID 62336061) is N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
The canonical SMILES for N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine is CNCCOCc1ncon1.
What is the InChIKey of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
The InChIKey is FVRQWZJFVVKVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-7-2-3-10-4-6-8-5-11-9-6/h5,7H,2-4H2,1H3.
What are the key properties of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine has a molecular weight of 157.17 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine is sourced from PubChem (CID 62336061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).