2-(pyrazol-1-ylmethyl)-1,3-oxazole

C7H7N3O — CID 141162895

IUPAC2-(pyrazol-1-ylmethyl)-1,3-oxazole
SMILESc1cnn(Cc2ncco2)c1
InChIInChI=1S/C7H7N3O/c1-2-9-10(4-1)6-7-8-3-5-11-7/h1-5H,6H2
InChIKeyXZNKTEFKOOBJDS-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.92
Rot. Bonds2

About 2-(pyrazol-1-ylmethyl)-1,3-oxazole

2-(pyrazol-1-ylmethyl)-1,3-oxazole (PubChem CID 141162895) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-1,3-oxazole
PubChem CID141162895
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-(pyrazol-1-ylmethyl)-1,3-oxazole
SMILESc1cnn(Cc2ncco2)c1
InChIInChI=1S/C7H7N3O/c1-2-9-10(4-1)6-7-8-3-5-11-7/h1-5H,6H2
InChIKeyXZNKTEFKOOBJDS-UHFFFAOYSA-N
XLogP0.92
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-1,3-oxazole (CID 141162895) is 2-(pyrazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-1,3-oxazole is c1cnn(Cc2ncco2)c1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is XZNKTEFKOOBJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-9-10(4-1)6-7-8-3-5-11-7/h1-5H,6H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)-1,3-oxazole?
2-(pyrazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 149.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 141162895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).