ethane;3-methyl-4H-1,2,4-oxadiazol-5-one

C7H16N2O2 — CID 142121034

IUPACethane;3-methyl-4H-1,2,4-oxadiazol-5-one
SMILESCC.CC.Cc1noc(=O)[nH]1
InChIInChI=1S/C3H4N2O2.2C2H6/c1-2-4-3(6)7-5-2;2*1-2/h1H3,(H,4,5,6);2*1-2H3
InChIKeyVXJTZCBMUDTGPU-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.72
Rot. Bonds

About ethane;3-methyl-4H-1,2,4-oxadiazol-5-one

ethane;3-methyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 142121034) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethane;3-methyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Nameethane;3-methyl-4H-1,2,4-oxadiazol-5-one
PubChem CID142121034
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethane;3-methyl-4H-1,2,4-oxadiazol-5-one
SMILESCC.CC.Cc1noc(=O)[nH]1
InChIInChI=1S/C3H4N2O2.2C2H6/c1-2-4-3(6)7-5-2;2*1-2/h1H3,(H,4,5,6);2*1-2H3
InChIKeyVXJTZCBMUDTGPU-UHFFFAOYSA-N
XLogP1.72
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of ethane;3-methyl-4H-1,2,4-oxadiazol-5-one (CID 142121034) is ethane;3-methyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for ethane;3-methyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for ethane;3-methyl-4H-1,2,4-oxadiazol-5-one is CC.CC.Cc1noc(=O)[nH]1.
What is the InChIKey of ethane;3-methyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is VXJTZCBMUDTGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.2C2H6/c1-2-4-3(6)7-5-2;2*1-2/h1H3,(H,4,5,6);2*1-2H3.
What are the key properties of ethane;3-methyl-4H-1,2,4-oxadiazol-5-one?
ethane;3-methyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 160.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 142121034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).