3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole

C17H13N3O — CID 25164675

IUPAC3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole
SMILESc1ccc(Cc2cc(-c3ccc4[nH]ncc4c3)on2)cc1
InChIInChI=1S/C17H13N3O/c1-2-4-12(5-3-1)8-15-10-17(21-20-15)13-6-7-16-14(9-13)11-18-19-16/h1-7,9-11H,8H2,(H,18,19)
InChIKeyWKWGFJFNCXAUEX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.81
Rot. Bonds3

About 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole

3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole (PubChem CID 25164675) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole
PubChem CID25164675
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole
SMILESc1ccc(Cc2cc(-c3ccc4[nH]ncc4c3)on2)cc1
InChIInChI=1S/C17H13N3O/c1-2-4-12(5-3-1)8-15-10-17(21-20-15)13-6-7-16-14(9-13)11-18-19-16/h1-7,9-11H,8H2,(H,18,19)
InChIKeyWKWGFJFNCXAUEX-UHFFFAOYSA-N
XLogP3.81
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole?
The IUPAC name of 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole (CID 25164675) is 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole?
The canonical SMILES for 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole is c1ccc(Cc2cc(-c3ccc4[nH]ncc4c3)on2)cc1.
What is the InChIKey of 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole?
The InChIKey is WKWGFJFNCXAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-4-12(5-3-1)8-15-10-17(21-20-15)13-6-7-16-14(9-13)11-18-19-16/h1-7,9-11H,8H2,(H,18,19).
What are the key properties of 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole?
3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole has a molecular weight of 275.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 25164675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).