5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one

C20H18FNO3 — CID 102368500

IUPAC5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
SMILESC=CC(c1ccc(F)cc1)C1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C20H18FNO3/c1-4-17(13-5-9-15(21)10-6-13)20(2)19(23)22-18(25-20)14-7-11-16(24-3)12-8-14/h4-12,17H,1H2,2-3H3
InChIKeyVRDYOIUYYXSGMR-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.87
Rot. Bonds5

About 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one

5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one (PubChem CID 102368500) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
PubChem CID102368500
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
SMILESC=CC(c1ccc(F)cc1)C1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C20H18FNO3/c1-4-17(13-5-9-15(21)10-6-13)20(2)19(23)22-18(25-20)14-7-11-16(24-3)12-8-14/h4-12,17H,1H2,2-3H3
InChIKeyVRDYOIUYYXSGMR-UHFFFAOYSA-N
XLogP3.87
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The IUPAC name of 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one (CID 102368500) is 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one.
What is the SMILES notation for 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The canonical SMILES for 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one is C=CC(c1ccc(F)cc1)C1(C)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The InChIKey is VRDYOIUYYXSGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-4-17(13-5-9-15(21)10-6-13)20(2)19(23)22-18(25-20)14-7-11-16(24-3)12-8-14/h4-12,17H,1H2,2-3H3.
What are the key properties of 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one has a molecular weight of 339.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one is sourced from PubChem (CID 102368500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).