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

C20H17F2N3O2 — CID 24984554

IUPAC[(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(F)c1)N1CCC[C@H](c2nc(-c3ccccc3F)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-16-6-2-1-5-15(16)17-12-27-19(24-17)14-4-3-9-25(11-14)20(26)13-7-8-23-18(22)10-13/h1-2,5-8,10,12,14H,3-4,9,11H2/t14-/m0/s1
InChIKeyULVXFEWYUHSHMF-AWEZNQCLSA-N
MW369.37 g/mol
LogP4.03
Rot. Bonds3

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

[(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone (PubChem CID 24984554) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
PubChem CID24984554
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name[(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(F)c1)N1CCC[C@H](c2nc(-c3ccccc3F)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-16-6-2-1-5-15(16)17-12-27-19(24-17)14-4-3-9-25(11-14)20(26)13-7-8-23-18(22)10-13/h1-2,5-8,10,12,14H,3-4,9,11H2/t14-/m0/s1
InChIKeyULVXFEWYUHSHMF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone (CID 24984554) is [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone is O=C(c1ccnc(F)c1)N1CCC[C@H](c2nc(-c3ccccc3F)co2)C1.
What is the InChIKey of [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
The InChIKey is ULVXFEWYUHSHMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-16-6-2-1-5-15(16)17-12-27-19(24-17)14-4-3-9-25(11-14)20(26)13-7-8-23-18(22)10-13/h1-2,5-8,10,12,14H,3-4,9,11H2/t14-/m0/s1.
What are the key properties of [(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
[(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-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-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 24984554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).