2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one

C11H8FNO2 — CID 158678027

IUPAC2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one
SMILESC=CC1=NC(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C11H8FNO2/c1-2-9-13-10(11(14)15-9)7-3-5-8(12)6-4-7/h2-6,10H,1H2
InChIKeyIETPFSUOHNDJTH-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.01
Rot. Bonds2

About 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one

2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one (PubChem CID 158678027) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one
PubChem CID158678027
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one
SMILESC=CC1=NC(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C11H8FNO2/c1-2-9-13-10(11(14)15-9)7-3-5-8(12)6-4-7/h2-6,10H,1H2
InChIKeyIETPFSUOHNDJTH-UHFFFAOYSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6950279
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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one (CID 158678027) is 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one is C=CC1=NC(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
The InChIKey is IETPFSUOHNDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-2-9-13-10(11(14)15-9)7-3-5-8(12)6-4-7/h2-6,10H,1H2.
What are the key properties of 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one has a molecular weight of 205.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 158678027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).