5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

C8H7N3O2 — CID 130517490

IUPAC5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2coc(C)n2)no1
InChIInChI=1S/C8H7N3O2/c1-3-7-10-8(11-13-7)6-4-12-5(2)9-6/h3-4H,1H2,2H3
InChIKeyVUBNOSDKGYSWFK-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.68
Rot. Bonds2

About 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (PubChem CID 130517490) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
PubChem CID130517490
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2coc(C)n2)no1
InChIInChI=1S/C8H7N3O2/c1-3-7-10-8(11-13-7)6-4-12-5(2)9-6/h3-4H,1H2,2H3
InChIKeyVUBNOSDKGYSWFK-UHFFFAOYSA-N
XLogP1.68
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (CID 130517490) is 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is C=Cc1nc(-c2coc(C)n2)no1.
What is the InChIKey of 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is VUBNOSDKGYSWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-3-7-10-8(11-13-7)6-4-12-5(2)9-6/h3-4H,1H2,2H3.
What are the key properties of 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 177.16 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130517490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).