3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one

C16H12FNO2 — CID 164685887

IUPAC3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)cn1Cc1ccccc1F
InChIInChI=1S/C16H12FNO2/c17-14-9-5-4-8-13(14)10-18-11-15(20-16(18)19)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyUWSFVVIEFWWSRS-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.30
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one

3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one (PubChem CID 164685887) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one
PubChem CID164685887
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)cn1Cc1ccccc1F
InChIInChI=1S/C16H12FNO2/c17-14-9-5-4-8-13(14)10-18-11-15(20-16(18)19)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyUWSFVVIEFWWSRS-UHFFFAOYSA-N
XLogP3.30
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one (CID 164685887) is 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)cn1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one?
The InChIKey is UWSFVVIEFWWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-14-9-5-4-8-13(14)10-18-11-15(20-16(18)19)12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one?
3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one has a molecular weight of 269.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 164685887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).