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

C5H9N3O — CID 20655904

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)N)o1
InChIInChI=1S/C5H9N3O/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3
InChIKeyBOIJSRQQRMVLPC-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.40
Rot. Bonds1

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

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 20655904) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID20655904
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)N)o1
InChIInChI=1S/C5H9N3O/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3
InChIKeyBOIJSRQQRMVLPC-UHFFFAOYSA-N
XLogP0.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 20655904) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine is Cc1nnc(C(C)N)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is BOIJSRQQRMVLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 127.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 20655904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).