[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C21H20FN3O2 — CID 110110116

IUPAC[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCCC1c1ncc(Cc2ccccc2F)o1
InChIInChI=1S/C21H20FN3O2/c22-18-6-2-1-5-16(18)13-17-14-24-20(27-17)19-7-3-4-12-25(19)21(26)15-8-10-23-11-9-15/h1-2,5-6,8-11,14,19H,3-4,7,12-13H2
InChIKeyIMGJLAROHWLGGO-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.17
Rot. Bonds4

About [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110110116) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110110116
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCCC1c1ncc(Cc2ccccc2F)o1
InChIInChI=1S/C21H20FN3O2/c22-18-6-2-1-5-16(18)13-17-14-24-20(27-17)19-7-3-4-12-25(19)21(26)15-8-10-23-11-9-15/h1-2,5-6,8-11,14,19H,3-4,7,12-13H2
InChIKeyIMGJLAROHWLGGO-UHFFFAOYSA-N
XLogP4.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 110110116) is [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCCC1c1ncc(Cc2ccccc2F)o1.
What is the InChIKey of [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is IMGJLAROHWLGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-18-6-2-1-5-16(18)13-17-14-24-20(27-17)19-7-3-4-12-25(19)21(26)15-8-10-23-11-9-15/h1-2,5-6,8-11,14,19H,3-4,7,12-13H2.
What are the key properties of [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 365.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110110116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).