3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole

C9H11N3O — CID 63810130

IUPAC3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1Cn1cccn1
InChIInChI=1S/C9H11N3O/c1-7-9(8(2)13-11-7)6-12-5-3-4-10-12/h3-5H,6H2,1-2H3
InChIKeyQYBOUVGJQPHRCF-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.54
Rot. Bonds2

About 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole

3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole (PubChem CID 63810130) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole
PubChem CID63810130
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1Cn1cccn1
InChIInChI=1S/C9H11N3O/c1-7-9(8(2)13-11-7)6-12-5-3-4-10-12/h3-5H,6H2,1-2H3
InChIKeyQYBOUVGJQPHRCF-UHFFFAOYSA-N
XLogP1.54
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole (CID 63810130) is 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole is Cc1noc(C)c1Cn1cccn1.
What is the InChIKey of 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole?
The InChIKey is QYBOUVGJQPHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-9(8(2)13-11-7)6-12-5-3-4-10-12/h3-5H,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole has a molecular weight of 177.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 63810130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).