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

C5H9N3O — CID 56828665

IUPACN-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCNCCc1ncon1
InChIInChI=1S/C5H9N3O/c1-6-3-2-5-7-4-9-8-5/h4,6H,2-3H2,1H3
InChIKeyKOMJKGAWCSYGCB-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.17
Rot. Bonds3

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

N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 56828665) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID56828665
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCNCCc1ncon1
InChIInChI=1S/C5H9N3O/c1-6-3-2-5-7-4-9-8-5/h4,6H,2-3H2,1H3
InChIKeyKOMJKGAWCSYGCB-UHFFFAOYSA-N
XLogP-0.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 56828665) is N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine is CNCCc1ncon1.
What is the InChIKey of N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is KOMJKGAWCSYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-6-3-2-5-7-4-9-8-5/h4,6H,2-3H2,1H3.
What are the key properties of N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 127.15 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 56828665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).