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

C17H14FNO2 — CID 164686730

IUPAC5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
SMILESCC(c1ccccc1)n1cc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C17H14FNO2/c1-12(13-5-3-2-4-6-13)19-11-16(21-17(19)20)14-7-9-15(18)10-8-14/h2-12H,1H3
InChIKeyMVVBTSQASQIDIK-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.86
Rot. Bonds3

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

5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one (PubChem CID 164686730) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
PubChem CID164686730
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
SMILESCC(c1ccccc1)n1cc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C17H14FNO2/c1-12(13-5-3-2-4-6-13)19-11-16(21-17(19)20)14-7-9-15(18)10-8-14/h2-12H,1H3
InChIKeyMVVBTSQASQIDIK-UHFFFAOYSA-N
XLogP3.86
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one (CID 164686730) is 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one is CC(c1ccccc1)n1cc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
The InChIKey is MVVBTSQASQIDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-12(13-5-3-2-4-6-13)19-11-16(21-17(19)20)14-7-9-15(18)10-8-14/h2-12H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one has a molecular weight of 283.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one is sourced from PubChem (CID 164686730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).