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

C10H13N3O — CID 170408881

IUPAC3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cc(C)n(C)n2)no1
InChIInChI=1S/C10H13N3O/c1-4-8-6-10(12-14-8)9-5-7(2)13(3)11-9/h5-6H,4H2,1-3H3
InChIKeyVZHGRQKSLKWGEU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.95
Rot. Bonds2

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

3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole (PubChem CID 170408881) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole
PubChem CID170408881
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cc(C)n(C)n2)no1
InChIInChI=1S/C10H13N3O/c1-4-8-6-10(12-14-8)9-5-7(2)13(3)11-9/h5-6H,4H2,1-3H3
InChIKeyVZHGRQKSLKWGEU-UHFFFAOYSA-N
XLogP1.95
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole?
The IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole (CID 170408881) is 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole?
The canonical SMILES for 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole is CCc1cc(-c2cc(C)n(C)n2)no1.
What is the InChIKey of 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole?
The InChIKey is VZHGRQKSLKWGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-8-6-10(12-14-8)9-5-7(2)13(3)11-9/h5-6H,4H2,1-3H3.
What are the key properties of 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole?
3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole is sourced from PubChem (CID 170408881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).