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

C20H17F2N3O2 — CID 24984550

IUPAC(3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-15-7-6-13(10-16(15)22)20(26)25-9-3-4-14(11-25)19-24-18(12-27-19)17-5-1-2-8-23-17/h1-2,5-8,10,12,14H,3-4,9,11H2/t14-/m0/s1
InChIKeyIGURAFYVXBEZRL-AWEZNQCLSA-N
MW369.37 g/mol
LogP4.03
Rot. Bonds3

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

(3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone (PubChem CID 24984550) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
PubChem CID24984550
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1
InChIInChI=1S/C20H17F2N3O2/c21-15-7-6-13(10-16(15)22)20(26)25-9-3-4-14(11-25)19-24-18(12-27-19)17-5-1-2-8-23-17/h1-2,5-8,10,12,14H,3-4,9,11H2/t14-/m0/s1
InChIKeyIGURAFYVXBEZRL-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 (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone (CID 24984550) is (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IGURAFYVXBEZRL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-15-7-6-13(10-16(15)22)20(26)25-9-3-4-14(11-25)19-24-18(12-27-19)17-5-1-2-8-23-17/h1-2,5-8,10,12,14H,3-4,9,11H2/t14-/m0/s1.
What are the key properties of (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]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 (3,4-difluorophenyl)-[(3S)-3-(4-pyridin-2-yl-1,3-oxazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24984550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).