3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one

C10H9FN2O2 — CID 134097988

IUPAC3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c11-9-3-1-8(2-4-9)7-12-13-5-6-15-10(13)14/h1-4,7H,5-6H2/b12-7+
InChIKeyZXFYFMQCIASDMF-KPKJPENVSA-N
MW208.19 g/mol
LogP1.61
Rot. Bonds2

About 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one

3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one (PubChem CID 134097988) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one
PubChem CID134097988
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c11-9-3-1-8(2-4-9)7-12-13-5-6-15-10(13)14/h1-4,7H,5-6H2/b12-7+
InChIKeyZXFYFMQCIASDMF-KPKJPENVSA-N
XLogP1.61
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one (CID 134097988) is 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one is O=C1OCCN1/N=C/c1ccc(F)cc1.
What is the InChIKey of 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is ZXFYFMQCIASDMF-KPKJPENVSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-9-3-1-8(2-4-9)7-12-13-5-6-15-10(13)14/h1-4,7H,5-6H2/b12-7+.
What are the key properties of 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one?
3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 208.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134097988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).