5-(2-methylprop-2-enyl)-1,2,4-oxadiazole

C6H8N2O — CID 143762993

IUPAC5-(2-methylprop-2-enyl)-1,2,4-oxadiazole
SMILESC=C(C)Cc1ncno1
InChIInChI=1S/C6H8N2O/c1-5(2)3-6-7-4-8-9-6/h4H,1,3H2,2H3
InChIKeyDBPWPHCYUIFAET-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.19
Rot. Bonds2

About 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole

5-(2-methylprop-2-enyl)-1,2,4-oxadiazole (PubChem CID 143762993) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylprop-2-enyl)-1,2,4-oxadiazole
PubChem CID143762993
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-(2-methylprop-2-enyl)-1,2,4-oxadiazole
SMILESC=C(C)Cc1ncno1
InChIInChI=1S/C6H8N2O/c1-5(2)3-6-7-4-8-9-6/h4H,1,3H2,2H3
InChIKeyDBPWPHCYUIFAET-UHFFFAOYSA-N
XLogP1.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Propyl-1,2,4-oxadiazole
CID 53643041
5-(2-Methylpropyl)-1,2,4-oxadiazole
CID 57317799
5-Prop-2-enyl-1,2,4-oxadiazole
CID 67763596
5-(2,2-Dimethylpropyl)-1,2,4-oxadiazole
CID 132061754
5-Butan-2-yl-1,2,4-oxadiazole
CID 144964405
3-Deuterio-5-propyl-1,2,4-oxadiazole
CID 175906977
3-Deuterio-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 176251352
5-Pent-4-en-2-yl-1,2,4-oxadiazole
CID 176251425

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole (CID 143762993) is 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole is C=C(C)Cc1ncno1.
What is the InChIKey of 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole?
The InChIKey is DBPWPHCYUIFAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(2)3-6-7-4-8-9-6/h4H,1,3H2,2H3.
What are the key properties of 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole?
5-(2-methylprop-2-enyl)-1,2,4-oxadiazole has a molecular weight of 124.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enyl)-1,2,4-oxadiazole is sourced from PubChem (CID 143762993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).