5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole

C8H9N3O — CID 139378769

IUPAC5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole
SMILESCc1cc(-c2ccno2)nn1C
InChIInChI=1S/C8H9N3O/c1-6-5-7(10-11(6)2)8-3-4-9-12-8/h3-5H,1-2H3
InChIKeyRQJJLVMXQVRCIS-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.38
Rot. Bonds1

About 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole

5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole (PubChem CID 139378769) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole
PubChem CID139378769
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole
SMILESCc1cc(-c2ccno2)nn1C
InChIInChI=1S/C8H9N3O/c1-6-5-7(10-11(6)2)8-3-4-9-12-8/h3-5H,1-2H3
InChIKeyRQJJLVMXQVRCIS-UHFFFAOYSA-N
XLogP1.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
The IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole (CID 139378769) is 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole is Cc1cc(-c2ccno2)nn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
The InChIKey is RQJJLVMXQVRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-5-7(10-11(6)2)8-3-4-9-12-8/h3-5H,1-2H3.
What are the key properties of 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 139378769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).