6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

C23H18F4N6O2 — CID 25073588

IUPAC6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1cnc(-c2nc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)co2)nc1N1CCOCC1
InChIInChI=1S/C23H18F4N6O2/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)22-31-19(13-35-22)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2
InChIKeyXWRQVCAVGPSLIU-UHFFFAOYSA-N
MW486.43 g/mol
LogP4.93
Rot. Bonds5

About 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 25073588) has the molecular formula C23H18F4N6O2 and a molecular weight of 486.43 g/mol. Its IUPAC name is 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID25073588
Molecular FormulaC23H18F4N6O2
Molecular Weight486.43 g/mol
Exact Mass486.14
IUPAC Name6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1cnc(-c2nc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)co2)nc1N1CCOCC1
InChIInChI=1S/C23H18F4N6O2/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)22-31-19(13-35-22)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2
InChIKeyXWRQVCAVGPSLIU-UHFFFAOYSA-N
XLogP4.93
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 25073588) is 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is Fc1cnc(-c2nc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)co2)nc1N1CCOCC1.
What is the InChIKey of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is XWRQVCAVGPSLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O2/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)22-31-19(13-35-22)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2.
What are the key properties of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 486.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 25073588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).