5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole

C22H19FN4O — CID 58521665

IUPAC5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole
SMILESC[C@H](Cc1cc(-c2cnco2)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O/c1-15(16-2-4-18(23)5-3-16)8-19-9-17(22-13-25-14-28-22)10-20(27-19)11-21-12-24-6-7-26-21/h2-7,9-10,12-15H,8,11H2,1H3/t15-/m1/s1
InChIKeyOWNRGKHCPFWRGQ-OAHLLOKOSA-N
MW374.42 g/mol
LogP4.60
Rot. Bonds6

About 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole

5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole (PubChem CID 58521665) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole
PubChem CID58521665
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole
SMILESC[C@H](Cc1cc(-c2cnco2)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O/c1-15(16-2-4-18(23)5-3-16)8-19-9-17(22-13-25-14-28-22)10-20(27-19)11-21-12-24-6-7-26-21/h2-7,9-10,12-15H,8,11H2,1H3/t15-/m1/s1
InChIKeyOWNRGKHCPFWRGQ-OAHLLOKOSA-N
XLogP4.60
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole?
The IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole (CID 58521665) is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole?
The canonical SMILES for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole is C[C@H](Cc1cc(-c2cnco2)cc(Cc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole?
The InChIKey is OWNRGKHCPFWRGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-15(16-2-4-18(23)5-3-16)8-19-9-17(22-13-25-14-28-22)10-20(27-19)11-21-12-24-6-7-26-21/h2-7,9-10,12-15H,8,11H2,1H3/t15-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole?
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole has a molecular weight of 374.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 58521665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).