(4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C20H17F2N3O2 — CID 24984551

IUPAC(4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cn3)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-15-5-3-13(4-6-15)20(26)25-9-1-2-14(11-25)19-24-18(12-27-19)17-8-7-16(22)10-23-17/h3-8,10,12,14H,1-2,9,11H2/t14-/m0/s1
InChIKeySOQLZNGIEPVSJB-AWEZNQCLSA-N
MW369.37 g/mol
LogP4.03
Rot. Bonds3

About (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 24984551) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID24984551
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cn3)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-15-5-3-13(4-6-15)20(26)25-9-1-2-14(11-25)19-24-18(12-27-19)17-8-7-16(22)10-23-17/h3-8,10,12,14H,1-2,9,11H2/t14-/m0/s1
InChIKeySOQLZNGIEPVSJB-AWEZNQCLSA-N
XLogP4.03
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 24984551) is (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cn3)co2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is SOQLZNGIEPVSJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-15-5-3-13(4-6-15)20(26)25-9-1-2-14(11-25)19-24-18(12-27-19)17-8-7-16(22)10-23-17/h3-8,10,12,14H,1-2,9,11H2/t14-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 369.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24984551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).