3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole

C13H11N3O — CID 71996954

IUPAC3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cc(Cn3cccn3)on2)cc1
InChIInChI=1S/C13H11N3O/c1-2-5-11(6-3-1)13-9-12(17-15-13)10-16-8-4-7-14-16/h1-9H,10H2
InChIKeyFBZYSWNKAIVRAW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.59
Rot. Bonds3

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

3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole (PubChem CID 71996954) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole
PubChem CID71996954
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cc(Cn3cccn3)on2)cc1
InChIInChI=1S/C13H11N3O/c1-2-5-11(6-3-1)13-9-12(17-15-13)10-16-8-4-7-14-16/h1-9H,10H2
InChIKeyFBZYSWNKAIVRAW-UHFFFAOYSA-N
XLogP2.59
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole (CID 71996954) is 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole is c1ccc(-c2cc(Cn3cccn3)on2)cc1.
What is the InChIKey of 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole?
The InChIKey is FBZYSWNKAIVRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-5-11(6-3-1)13-9-12(17-15-13)10-16-8-4-7-14-16/h1-9H,10H2.
What are the key properties of 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole?
3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole has a molecular weight of 225.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(pyrazol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 71996954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).