(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone

C24H19F2N3O4 — CID 77105988

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone
SMILESO=C(c1cc(-c2cocn2)ccc1O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H19F2N3O4/c25-24(26)9-10-29(12-21(24)33-22-8-6-15-3-1-2-4-18(15)28-22)23(31)17-11-16(5-7-20(17)30)19-13-32-14-27-19/h1-8,11,13-14,21,30H,9-10,12H2
InChIKeyDIHDIXBHXRTUOF-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.52
Rot. Bonds4

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone (PubChem CID 77105988) has the molecular formula C24H19F2N3O4 and a molecular weight of 451.43 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone
PubChem CID77105988
Molecular FormulaC24H19F2N3O4
Molecular Weight451.43 g/mol
Exact Mass451.13
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone
SMILESO=C(c1cc(-c2cocn2)ccc1O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H19F2N3O4/c25-24(26)9-10-29(12-21(24)33-22-8-6-15-3-1-2-4-18(15)28-22)23(31)17-11-16(5-7-20(17)30)19-13-32-14-27-19/h1-8,11,13-14,21,30H,9-10,12H2
InChIKeyDIHDIXBHXRTUOF-UHFFFAOYSA-N
XLogP4.52
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]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 (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone (CID 77105988) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone is O=C(c1cc(-c2cocn2)ccc1O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone?
The InChIKey is DIHDIXBHXRTUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4/c25-24(26)9-10-29(12-21(24)33-22-8-6-15-3-1-2-4-18(15)28-22)23(31)17-11-16(5-7-20(17)30)19-13-32-14-27-19/h1-8,11,13-14,21,30H,9-10,12H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone has a molecular weight of 451.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1,3-oxazol-4-yl)phenyl]methanone is sourced from PubChem (CID 77105988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).