3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one

C25H25F2N5O4 — CID 66684269

IUPAC3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCOc1nc(N2CCOCC2)c(F)c(NN=Cc2ccc3ccccc3c2)c1F
InChIInChI=1S/C25H25F2N5O4/c26-20-22(30-28-16-17-5-6-18-3-1-2-4-19(18)15-17)21(27)24(29-23(20)31-7-11-34-12-8-31)35-13-9-32-10-14-36-25(32)33/h1-6,15-16H,7-14H2,(H,29,30)
InChIKeyTUIJNWCTJXGCJG-UHFFFAOYSA-N
MW497.50 g/mol
LogP3.63
Rot. Bonds8

About 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one

3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 66684269) has the molecular formula C25H25F2N5O4 and a molecular weight of 497.50 g/mol. Its IUPAC name is 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID66684269
Molecular FormulaC25H25F2N5O4
Molecular Weight497.50 g/mol
Exact Mass497.19
IUPAC Name3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCOc1nc(N2CCOCC2)c(F)c(NN=Cc2ccc3ccccc3c2)c1F
InChIInChI=1S/C25H25F2N5O4/c26-20-22(30-28-16-17-5-6-18-3-1-2-4-19(18)15-17)21(27)24(29-23(20)31-7-11-34-12-8-31)35-13-9-32-10-14-36-25(32)33/h1-6,15-16H,7-14H2,(H,29,30)
InChIKeyTUIJNWCTJXGCJG-UHFFFAOYSA-N
XLogP3.63
TPSA88.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (CID 66684269) is 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCOc1nc(N2CCOCC2)c(F)c(NN=Cc2ccc3ccccc3c2)c1F.
What is the InChIKey of 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is TUIJNWCTJXGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4/c26-20-22(30-28-16-17-5-6-18-3-1-2-4-19(18)15-17)21(27)24(29-23(20)31-7-11-34-12-8-31)35-13-9-32-10-14-36-25(32)33/h1-6,15-16H,7-14H2,(H,29,30).
What are the key properties of 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 497.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66684269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).