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

C20H16F3N3O2 — CID 24984710

IUPAC[(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3F)co2)C1
InChIInChI=1S/C20H16F3N3O2/c21-14-3-4-15(16(22)9-14)17-11-28-19(25-17)13-2-1-7-26(10-13)20(27)12-5-6-24-18(23)8-12/h3-6,8-9,11,13H,1-2,7,10H2/t13-/m0/s1
InChIKeyMYINBBAIRVIXDD-ZDUSSCGKSA-N
MW387.36 g/mol
LogP4.17
Rot. Bonds3

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

[(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone (PubChem CID 24984710) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
PubChem CID24984710
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name[(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3F)co2)C1
InChIInChI=1S/C20H16F3N3O2/c21-14-3-4-15(16(22)9-14)17-11-28-19(25-17)13-2-1-7-26(10-13)20(27)12-5-6-24-18(23)8-12/h3-6,8-9,11,13H,1-2,7,10H2/t13-/m0/s1
InChIKeyMYINBBAIRVIXDD-ZDUSSCGKSA-N
XLogP4.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone (CID 24984710) is [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone is O=C(c1ccnc(F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3F)co2)C1.
What is the InChIKey of [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
The InChIKey is MYINBBAIRVIXDD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-14-3-4-15(16(22)9-14)17-11-28-19(25-17)13-2-1-7-26(10-13)20(27)12-5-6-24-18(23)8-12/h3-6,8-9,11,13H,1-2,7,10H2/t13-/m0/s1.
What are the key properties of [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone?
[(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone has a molecular weight of 387.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 24984710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).