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

C26H26F2N4O4 — CID 58060169

IUPAC3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCOc1nc(N2CCOCC2)c(F)c(C/N=C/c2ccc3ccccc3c2)c1F
InChIInChI=1S/C26H26F2N4O4/c27-22-21(17-29-16-18-5-6-19-3-1-2-4-20(19)15-18)23(28)25(30-24(22)31-7-11-34-12-8-31)35-13-9-32-10-14-36-26(32)33/h1-6,15-16H,7-14,17H2/b29-16+
InChIKeyHPJHVXYPVLUVRZ-MUFRIFMGSA-N
MW496.51 g/mol
LogP3.80
Rot. Bonds8

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

3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 58060169) has the molecular formula C26H26F2N4O4 and a molecular weight of 496.51 g/mol. Its IUPAC name is 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID58060169
Molecular FormulaC26H26F2N4O4
Molecular Weight496.51 g/mol
Exact Mass496.19
IUPAC Name3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCOc1nc(N2CCOCC2)c(F)c(C/N=C/c2ccc3ccccc3c2)c1F
InChIInChI=1S/C26H26F2N4O4/c27-22-21(17-29-16-18-5-6-19-3-1-2-4-20(19)15-18)23(28)25(30-24(22)31-7-11-34-12-8-31)35-13-9-32-10-14-36-26(32)33/h1-6,15-16H,7-14,17H2/b29-16+
InChIKeyHPJHVXYPVLUVRZ-MUFRIFMGSA-N
XLogP3.80
TPSA76.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (CID 58060169) is 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-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-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCOc1nc(N2CCOCC2)c(F)c(C/N=C/c2ccc3ccccc3c2)c1F.
What is the InChIKey of 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is HPJHVXYPVLUVRZ-MUFRIFMGSA-N. The full InChI is InChI=1S/C26H26F2N4O4/c27-22-21(17-29-16-18-5-6-19-3-1-2-4-20(19)15-18)23(28)25(30-24(22)31-7-11-34-12-8-31)35-13-9-32-10-14-36-26(32)33/h1-6,15-16H,7-14,17H2/b29-16+.
What are the key properties of 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 496.51 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3,5-difluoro-6-morpholin-4-yl-4-[(naphthalen-2-ylmethylideneamino)methyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58060169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).