(4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one

C16H16FNO2 — CID 786197

IUPAC(4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(C2CCCCC2)=N/C1=C/c1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2/b14-10+
InChIKeyWHSUYWHAKYYZCW-GXDHUFHOSA-N
MW273.31 g/mol
LogP3.70
Rot. Bonds2

About (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one

(4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 786197) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID786197
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(C2CCCCC2)=N/C1=C/c1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2/b14-10+
InChIKeyWHSUYWHAKYYZCW-GXDHUFHOSA-N
XLogP3.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 786197) is (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(C2CCCCC2)=N/C1=C/c1ccccc1F.
What is the InChIKey of (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is WHSUYWHAKYYZCW-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2/b14-10+.
What are the key properties of (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 273.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclohexyl-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 786197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).