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

C12H9N3O2 — CID 2745191

IUPAC3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3ccccc3)n2)no1
InChIInChI=1S/C12H9N3O2/c1-8-7-10(14-16-8)11-13-12(17-15-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHUCFXKSFIOXIRS-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.70
Rot. Bonds2

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

3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 2745191) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID2745191
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3ccccc3)n2)no1
InChIInChI=1S/C12H9N3O2/c1-8-7-10(14-16-8)11-13-12(17-15-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHUCFXKSFIOXIRS-UHFFFAOYSA-N
XLogP2.70
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole (CID 2745191) is 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole is Cc1cc(-c2noc(-c3ccccc3)n2)no1.
What is the InChIKey of 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is HUCFXKSFIOXIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-7-10(14-16-8)11-13-12(17-15-11)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole?
3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 227.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2745191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).