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

C20H18FN3O2 — CID 24984713

IUPAC(4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1
InChIInChI=1S/C20H18FN3O2/c21-16-8-6-14(7-9-16)20(25)24-11-3-4-15(12-24)19-23-18(13-26-19)17-5-1-2-10-22-17/h1-2,5-10,13,15H,3-4,11-12H2/t15-/m0/s1
InChIKeyCPSWGWXCNAESIJ-HNNXBMFYSA-N
MW351.38 g/mol
LogP3.90
Rot. Bonds3

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

(4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone (PubChem CID 24984713) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
PubChem CID24984713
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1
InChIInChI=1S/C20H18FN3O2/c21-16-8-6-14(7-9-16)20(25)24-11-3-4-15(12-24)19-23-18(13-26-19)17-5-1-2-10-22-17/h1-2,5-10,13,15H,3-4,11-12H2/t15-/m0/s1
InChIKeyCPSWGWXCNAESIJ-HNNXBMFYSA-N
XLogP3.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.90
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-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone (CID 24984713) is (4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is CPSWGWXCNAESIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-8-6-14(7-9-16)20(25)24-11-3-4-15(12-24)19-23-18(13-26-19)17-5-1-2-10-22-17/h1-2,5-10,13,15H,3-4,11-12H2/t15-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 351.38 g/mol, XLogP of 3.90, 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-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24984713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).