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

C21H20FN3O2 — CID 110110230

IUPAC[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C21H20FN3O2/c22-17-7-3-5-15(11-17)12-18-13-24-20(27-18)16-6-4-10-25(14-16)21(26)19-8-1-2-9-23-19/h1-3,5,7-9,11,13,16H,4,6,10,12,14H2
InChIKeyMKCRRKLUOSXXHX-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.82
Rot. Bonds4

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

[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110110230) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110110230
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C21H20FN3O2/c22-17-7-3-5-15(11-17)12-18-13-24-20(27-18)16-6-4-10-25(14-16)21(26)19-8-1-2-9-23-19/h1-3,5,7-9,11,13,16H,4,6,10,12,14H2
InChIKeyMKCRRKLUOSXXHX-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 110110230) is [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1.
What is the InChIKey of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MKCRRKLUOSXXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-7-3-5-15(11-17)12-18-13-24-20(27-18)16-6-4-10-25(14-16)21(26)19-8-1-2-9-23-19/h1-3,5,7-9,11,13,16H,4,6,10,12,14H2.
What are the key properties of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 365.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110110230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).