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

C21H19F2N3O2 — CID 46946600

IUPAC(4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@H](c2nc(-c3ccc(F)cn3)co2)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O2/c1-13-2-3-15(11-26(13)21(27)14-4-6-16(22)7-5-14)20-25-19(12-28-20)18-9-8-17(23)10-24-18/h4-10,12-13,15H,2-3,11H2,1H3/t13-,15+/m1/s1
InChIKeyUVBCHCGODSAKBW-HIFRSBDPSA-N
MW383.40 g/mol
LogP4.42
Rot. Bonds3

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

(4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone (PubChem CID 46946600) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone
PubChem CID46946600
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name(4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@H](c2nc(-c3ccc(F)cn3)co2)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O2/c1-13-2-3-15(11-26(13)21(27)14-4-6-16(22)7-5-14)20-25-19(12-28-20)18-9-8-17(23)10-24-18/h4-10,12-13,15H,2-3,11H2,1H3/t13-,15+/m1/s1
InChIKeyUVBCHCGODSAKBW-HIFRSBDPSA-N
XLogP4.42
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone (CID 46946600) is (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone is C[C@@H]1CC[C@H](c2nc(-c3ccc(F)cn3)co2)CN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The InChIKey is UVBCHCGODSAKBW-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-13-2-3-15(11-26(13)21(27)14-4-6-16(22)7-5-14)20-25-19(12-28-20)18-9-8-17(23)10-24-18/h4-10,12-13,15H,2-3,11H2,1H3/t13-,15+/m1/s1.
What are the key properties of (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone?
(4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(2R,5S)-5-[4-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 46946600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).