7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole

C16H15FN4O — CID 138050654

IUPAC7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole
SMILESFc1cccc2nc(N3CCC(c4ncccn4)CC3)oc12
InChIInChI=1S/C16H15FN4O/c17-12-3-1-4-13-14(12)22-16(20-13)21-9-5-11(6-10-21)15-18-7-2-8-19-15/h1-4,7-8,11H,5-6,9-10H2
InChIKeyLQRYXMXUBKPYSF-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.14
Rot. Bonds2

About 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole

7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole (PubChem CID 138050654) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole
PubChem CID138050654
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole
SMILESFc1cccc2nc(N3CCC(c4ncccn4)CC3)oc12
InChIInChI=1S/C16H15FN4O/c17-12-3-1-4-13-14(12)22-16(20-13)21-9-5-11(6-10-21)15-18-7-2-8-19-15/h1-4,7-8,11H,5-6,9-10H2
InChIKeyLQRYXMXUBKPYSF-UHFFFAOYSA-N
XLogP3.14
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole?
The IUPAC name of 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole (CID 138050654) is 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole is Fc1cccc2nc(N3CCC(c4ncccn4)CC3)oc12.
What is the InChIKey of 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole?
The InChIKey is LQRYXMXUBKPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-12-3-1-4-13-14(12)22-16(20-13)21-9-5-11(6-10-21)15-18-7-2-8-19-15/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole?
7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole has a molecular weight of 298.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 138050654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).