5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole

C27H33FN4O3 — CID 22491373

IUPAC5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole
SMILESFc1ccc2onc(N3CCN4CC(COc5cccc(CN6CCOCC6)c5)CCC4C3)c2c1
InChIInChI=1S/C27H33FN4O3/c28-22-5-7-26-25(15-22)27(29-35-26)32-9-8-31-17-21(4-6-23(31)18-32)19-34-24-3-1-2-20(14-24)16-30-10-12-33-13-11-30/h1-3,5,7,14-15,21,23H,4,6,8-13,16-19H2
InChIKeyPVMALRYNUJVKGS-UHFFFAOYSA-N
MW480.58 g/mol
LogP3.78
Rot. Bonds6

About 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole

5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole (PubChem CID 22491373) has the molecular formula C27H33FN4O3 and a molecular weight of 480.58 g/mol. Its IUPAC name is 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole
PubChem CID22491373
Molecular FormulaC27H33FN4O3
Molecular Weight480.58 g/mol
Exact Mass480.25
IUPAC Name5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole
SMILESFc1ccc2onc(N3CCN4CC(COc5cccc(CN6CCOCC6)c5)CCC4C3)c2c1
InChIInChI=1S/C27H33FN4O3/c28-22-5-7-26-25(15-22)27(29-35-26)32-9-8-31-17-21(4-6-23(31)18-32)19-34-24-3-1-2-20(14-24)16-30-10-12-33-13-11-30/h1-3,5,7,14-15,21,23H,4,6,8-13,16-19H2
InChIKeyPVMALRYNUJVKGS-UHFFFAOYSA-N
XLogP3.78
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole?
The IUPAC name of 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole (CID 22491373) is 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole.
What is the SMILES notation for 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole?
The canonical SMILES for 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole is Fc1ccc2onc(N3CCN4CC(COc5cccc(CN6CCOCC6)c5)CCC4C3)c2c1.
What is the InChIKey of 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole?
The InChIKey is PVMALRYNUJVKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O3/c28-22-5-7-26-25(15-22)27(29-35-26)32-9-8-31-17-21(4-6-23(31)18-32)19-34-24-3-1-2-20(14-24)16-30-10-12-33-13-11-30/h1-3,5,7,14-15,21,23H,4,6,8-13,16-19H2.
What are the key properties of 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole?
5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole has a molecular weight of 480.58 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[7-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole is sourced from PubChem (CID 22491373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).