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

C6H11N3O2 — CID 82652009

IUPAC3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one
SMILESCC(N)Cc1noc(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-4(7)3-5-8-11-6(10)9(5)2/h4H,3,7H2,1-2H3
InChIKeyHCYMCYHRAHEFKG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.74
Rot. Bonds2

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

3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one (PubChem CID 82652009) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one
PubChem CID82652009
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one
SMILESCC(N)Cc1noc(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-4(7)3-5-8-11-6(10)9(5)2/h4H,3,7H2,1-2H3
InChIKeyHCYMCYHRAHEFKG-UHFFFAOYSA-N
XLogP-0.74
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one (CID 82652009) is 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one is CC(N)Cc1noc(=O)n1C.
What is the InChIKey of 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is HCYMCYHRAHEFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4(7)3-5-8-11-6(10)9(5)2/h4H,3,7H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one?
3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 82652009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).