5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one

C4H7N3O2 — CID 24950200

IUPAC5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one
SMILESCNCc1n[nH]c(=O)o1
InChIInChI=1S/C4H7N3O2/c1-5-2-3-6-7-4(8)9-3/h5H,2H2,1H3,(H,7,8)
InChIKeyHGRZKTKVNLXXCQ-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.92
Rot. Bonds2

About 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one

5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 24950200) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID24950200
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one
SMILESCNCc1n[nH]c(=O)o1
InChIInChI=1S/C4H7N3O2/c1-5-2-3-6-7-4(8)9-3/h5H,2H2,1H3,(H,7,8)
InChIKeyHGRZKTKVNLXXCQ-UHFFFAOYSA-N
XLogP-0.92
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one (CID 24950200) is 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one is CNCc1n[nH]c(=O)o1.
What is the InChIKey of 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is HGRZKTKVNLXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-5-2-3-6-7-4(8)9-3/h5H,2H2,1H3,(H,7,8).
What are the key properties of 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one?
5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 129.12 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 24950200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).