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

C24H28F2N4O4 — CID 58060621

IUPAC3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=N/Cc2c(F)c(OCCN3CCOC3=O)nc(N3CCOCC3)c2F)cc1C
InChIInChI=1S/C24H28F2N4O4/c1-16-3-4-18(13-17(16)2)14-27-15-19-20(25)22(29-5-9-32-10-6-29)28-23(21(19)26)33-11-7-30-8-12-34-24(30)31/h3-4,13-14H,5-12,15H2,1-2H3/b27-14+
InChIKeyZEKQPURLSJPIPB-MZJWZYIUSA-N
MW474.51 g/mol
LogP3.26
Rot. Bonds8

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

3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 58060621) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID58060621
Molecular FormulaC24H28F2N4O4
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=N/Cc2c(F)c(OCCN3CCOC3=O)nc(N3CCOCC3)c2F)cc1C
InChIInChI=1S/C24H28F2N4O4/c1-16-3-4-18(13-17(16)2)14-27-15-19-20(25)22(29-5-9-32-10-6-29)28-23(21(19)26)33-11-7-30-8-12-34-24(30)31/h3-4,13-14H,5-12,15H2,1-2H3/b27-14+
InChIKeyZEKQPURLSJPIPB-MZJWZYIUSA-N
XLogP3.26
TPSA76.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (CID 58060621) is 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is Cc1ccc(/C=N/Cc2c(F)c(OCCN3CCOC3=O)nc(N3CCOCC3)c2F)cc1C.
What is the InChIKey of 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZEKQPURLSJPIPB-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-16-3-4-18(13-17(16)2)14-27-15-19-20(25)22(29-5-9-32-10-6-29)28-23(21(19)26)33-11-7-30-8-12-34-24(30)31/h3-4,13-14H,5-12,15H2,1-2H3/b27-14+.
What are the key properties of 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 474.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[[(3,4-dimethylphenyl)methylideneamino]methyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58060621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).