3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole

C21H13FN4O — CID 73051107

IUPAC3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccnn4-c4ccccn4)cc23)cc1
InChIInChI=1S/C21H13FN4O/c22-16-7-4-14(5-8-16)21-17-13-15(6-9-18(17)25-27-21)19-10-12-24-26(19)20-3-1-2-11-23-20/h1-13H
InChIKeyXSKMCFSRGYVIHL-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.88
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole

3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole (PubChem CID 73051107) has the molecular formula C21H13FN4O and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole
PubChem CID73051107
Molecular FormulaC21H13FN4O
Molecular Weight356.36 g/mol
Exact Mass356.11
IUPAC Name3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccnn4-c4ccccn4)cc23)cc1
InChIInChI=1S/C21H13FN4O/c22-16-7-4-14(5-8-16)21-17-13-15(6-9-18(17)25-27-21)19-10-12-24-26(19)20-3-1-2-11-23-20/h1-13H
InChIKeyXSKMCFSRGYVIHL-UHFFFAOYSA-N
XLogP4.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole (CID 73051107) is 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole is Fc1ccc(-c2onc3ccc(-c4ccnn4-c4ccccn4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole?
The InChIKey is XSKMCFSRGYVIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O/c22-16-7-4-14(5-8-16)21-17-13-15(6-9-18(17)25-27-21)19-10-12-24-26(19)20-3-1-2-11-23-20/h1-13H.
What are the key properties of 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole?
3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole has a molecular weight of 356.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(2-pyridin-2-ylpyrazol-3-yl)-2,1-benzoxazole is sourced from PubChem (CID 73051107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).