[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone

C23H18F2N4O3 — CID 118496778

IUPAC[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1cc(-c2ncco2)ccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H18F2N4O3/c24-23(25)8-11-29(22(30)18-13-16(7-9-26-18)21-27-10-12-31-21)14-19(23)32-20-6-5-15-3-1-2-4-17(15)28-20/h1-7,9-10,12-13,19H,8,11,14H2/t19-/m0/s1
InChIKeyVLMOSSHLCDZODK-IBGZPJMESA-N
MW436.42 g/mol
LogP4.21
Rot. Bonds4

About [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone (PubChem CID 118496778) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
PubChem CID118496778
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1cc(-c2ncco2)ccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H18F2N4O3/c24-23(25)8-11-29(22(30)18-13-16(7-9-26-18)21-27-10-12-31-21)14-19(23)32-20-6-5-15-3-1-2-4-17(15)28-20/h1-7,9-10,12-13,19H,8,11,14H2/t19-/m0/s1
InChIKeyVLMOSSHLCDZODK-IBGZPJMESA-N
XLogP4.21
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone (CID 118496778) is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone is O=C(c1cc(-c2ncco2)ccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is VLMOSSHLCDZODK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H18F2N4O3/c24-23(25)8-11-29(22(30)18-13-16(7-9-26-18)21-27-10-12-31-21)14-19(23)32-20-6-5-15-3-1-2-4-17(15)28-20/h1-7,9-10,12-13,19H,8,11,14H2/t19-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 436.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[4-(1,3-oxazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 118496778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).