3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one

C5H9N3O2 — CID 82651338

IUPAC3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one
SMILESCn1c(CCN)noc1=O
InChIInChI=1S/C5H9N3O2/c1-8-4(2-3-6)7-10-5(8)9/h2-3,6H2,1H3
InChIKeySXNPHTLGOWLKIJ-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.13
Rot. Bonds2

About 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one

3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one (PubChem CID 82651338) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one
PubChem CID82651338
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one
SMILESCn1c(CCN)noc1=O
InChIInChI=1S/C5H9N3O2/c1-8-4(2-3-6)7-10-5(8)9/h2-3,6H2,1H3
InChIKeySXNPHTLGOWLKIJ-UHFFFAOYSA-N
XLogP-1.13
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one (CID 82651338) is 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one is Cn1c(CCN)noc1=O.
What is the InChIKey of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is SXNPHTLGOWLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-8-4(2-3-6)7-10-5(8)9/h2-3,6H2,1H3.
What are the key properties of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one?
3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 143.15 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 82651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).