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

C16H12FNO2 — CID 138858087

IUPAC(4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC/C(=C\c2ccc(F)cc2)N1c1ccccc1
InChIInChI=1S/C16H12FNO2/c17-13-8-6-12(7-9-13)10-15-11-20-16(19)18(15)14-4-2-1-3-5-14/h1-10H,11H2/b15-10+
InChIKeyYUHAVUCJYBVOCW-XNTDXEJSSA-N
MW269.28 g/mol
LogP3.82
Rot. Bonds2

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

(4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 138858087) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID138858087
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC/C(=C\c2ccc(F)cc2)N1c1ccccc1
InChIInChI=1S/C16H12FNO2/c17-13-8-6-12(7-9-13)10-15-11-20-16(19)18(15)14-4-2-1-3-5-14/h1-10H,11H2/b15-10+
InChIKeyYUHAVUCJYBVOCW-XNTDXEJSSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one
CID 135037449
(4Z)-4-benzylidene-3-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 134098311
(4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
CID 138858138
3-phenyl-1,3-oxazolidine-2,4-dione
CID 10888463
5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2836561
(5Z)-5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2056044
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094
(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 44817312
(4E)-4-[(4-fluorophenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 170912994
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one
CID 6617577
(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
CID 101127578

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one (CID 138858087) is (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC/C(=C\c2ccc(F)cc2)N1c1ccccc1.
What is the InChIKey of (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YUHAVUCJYBVOCW-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-8-6-12(7-9-13)10-15-11-20-16(19)18(15)14-4-2-1-3-5-14/h1-10H,11H2/b15-10+.
What are the key properties of (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
(4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 269.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138858087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).