3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

C16H20FN3O3 — CID 10448738

IUPAC3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1c(F)cccc1/C=N/N1CC(CN2CCOCC2)OC1=O
InChIInChI=1S/C16H20FN3O3/c1-12-13(3-2-4-15(12)17)9-18-20-11-14(23-16(20)21)10-19-5-7-22-8-6-19/h2-4,9,14H,5-8,10-11H2,1H3/b18-9+
InChIKeyKHEVAHXDCUOOQM-GIJQJNRQSA-N
MW321.35 g/mol
LogP1.62
Rot. Bonds4

About 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10448738) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10448738
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1c(F)cccc1/C=N/N1CC(CN2CCOCC2)OC1=O
InChIInChI=1S/C16H20FN3O3/c1-12-13(3-2-4-15(12)17)9-18-20-11-14(23-16(20)21)10-19-5-7-22-8-6-19/h2-4,9,14H,5-8,10-11H2,1H3/b18-9+
InChIKeyKHEVAHXDCUOOQM-GIJQJNRQSA-N
XLogP1.62
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (CID 10448738) is 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is Cc1c(F)cccc1/C=N/N1CC(CN2CCOCC2)OC1=O.
What is the InChIKey of 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is KHEVAHXDCUOOQM-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-12-13(3-2-4-15(12)17)9-18-20-11-14(23-16(20)21)10-19-5-7-22-8-6-19/h2-4,9,14H,5-8,10-11H2,1H3/b18-9+.
What are the key properties of 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 321.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-fluoro-2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10448738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).