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

C20H18FNO3 — CID 154713580

IUPAC(5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
SMILESC=C[C@H](c1cccc(F)c1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C20H18FNO3/c1-4-17(14-6-5-7-15(21)12-14)20(2)19(23)22-18(25-20)13-8-10-16(24-3)11-9-13/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1
InChIKeyFXAIYCXKZWSRTC-YLJYHZDGSA-N
MW339.37 g/mol
LogP3.87
Rot. Bonds5

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

(5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one (PubChem CID 154713580) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
PubChem CID154713580
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name(5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
SMILESC=C[C@H](c1cccc(F)c1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C20H18FNO3/c1-4-17(14-6-5-7-15(21)12-14)20(2)19(23)22-18(25-20)13-8-10-16(24-3)11-9-13/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1
InChIKeyFXAIYCXKZWSRTC-YLJYHZDGSA-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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Related Compounds

(5E)-5-[(3-Fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one
CID 21229596
(4R)-4-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 135015518
(5R)-5-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714991
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
CID 154714994
5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one
CID 58324631
4-(Fluoromethyl)-4-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazol-5-one
CID 169870725
(5R)-5-[(1S)-1-(2,4-dimethoxyphenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 101340930
(4S)-4-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101537589
(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one
CID 134949883
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one
CID 154713578
(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one
CID 154713579
(5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714992

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one (CID 154713580) is (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one is C=C[C@H](c1cccc(F)c1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The InChIKey is FXAIYCXKZWSRTC-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-4-17(14-6-5-7-15(21)12-14)20(2)19(23)22-18(25-20)13-8-10-16(24-3)11-9-13/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
(5R)-5-[(1R)-1-(3-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 (5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one is sourced from PubChem (CID 154713580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).