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

C20H17F2N3O2 — CID 24984548

IUPAC[(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-15-5-3-13(4-6-15)18-12-27-19(24-18)14-2-1-9-25(11-14)20(26)16-7-8-23-10-17(16)22/h3-8,10,12,14H,1-2,9,11H2/t14-/m0/s1
InChIKeyKESWOQQEOGYUPR-AWEZNQCLSA-N
MW369.37 g/mol
LogP4.03
Rot. Bonds3

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

[(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 24984548) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID24984548
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name[(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-15-5-3-13(4-6-15)18-12-27-19(24-18)14-2-1-9-25(11-14)20(26)16-7-8-23-10-17(16)22/h3-8,10,12,14H,1-2,9,11H2/t14-/m0/s1
InChIKeyKESWOQQEOGYUPR-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 [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (CID 24984548) is [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)co2)C1.
What is the InChIKey of [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is KESWOQQEOGYUPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-15-5-3-13(4-6-15)18-12-27-19(24-18)14-2-1-9-25(11-14)20(26)16-7-8-23-10-17(16)22/h3-8,10,12,14H,1-2,9,11H2/t14-/m0/s1.
What are the key properties of [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
[(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)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 [(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 24984548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).