2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C5H9N3O — CID 10701847

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCN)n1
InChIInChI=1S/C5H9N3O/c1-4-7-5(2-3-6)9-8-4/h2-3,6H2,1H3
InChIKeyVRWWVRDLCMPKME-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.12
Rot. Bonds2

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 10701847) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID10701847
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCN)n1
InChIInChI=1S/C5H9N3O/c1-4-7-5(2-3-6)9-8-4/h2-3,6H2,1H3
InChIKeyVRWWVRDLCMPKME-UHFFFAOYSA-N
XLogP-0.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 10701847) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(CCN)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is VRWWVRDLCMPKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-7-5(2-3-6)9-8-4/h2-3,6H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 127.15 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 10701847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).