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

C21H18F3NO3 — CID 154714994

IUPAC(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(C(F)(F)F)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H18F3NO3/c1-4-17(13-5-9-15(10-6-13)21(22,23)24)20(2)19(26)25-18(28-20)14-7-11-16(27-3)12-8-14/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1
InChIKeyANIVWGQKEZHJMF-YLJYHZDGSA-N
MW389.37 g/mol
LogP4.75
Rot. Bonds5

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

(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one (PubChem CID 154714994) has the molecular formula C21H18F3NO3 and a molecular weight of 389.37 g/mol. Its IUPAC name is (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
PubChem CID154714994
Molecular FormulaC21H18F3NO3
Molecular Weight389.37 g/mol
Exact Mass389.12
IUPAC Name(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(C(F)(F)F)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H18F3NO3/c1-4-17(13-5-9-15(10-6-13)21(22,23)24)20(2)19(26)25-18(28-20)14-7-11-16(27-3)12-8-14/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1
InChIKeyANIVWGQKEZHJMF-YLJYHZDGSA-N
XLogP4.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154713580
(5R)-5-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714991
4-[(4-Methoxyphenyl)methyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-one
CID 14443390
5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one
CID 58324631
(5R)-5-[(1S)-1-(2,4-dimethoxyphenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 101340930
(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
(5R)-5-[(1R)-1-(4-bromophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714993
2-(4-methoxyphenyl)-5-propyloxazol-4(5H)-one
CID 171341356
(R)-2-(4-methoxyphenyl)-5-phenyl-5-propyloxazol-4(5H)-one
CID 171341361

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one (CID 154714994) is (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one is C=C[C@H](c1ccc(C(F)(F)F)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one?
The InChIKey is ANIVWGQKEZHJMF-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H18F3NO3/c1-4-17(13-5-9-15(10-6-13)21(22,23)24)20(2)19(26)25-18(28-20)14-7-11-16(27-3)12-8-14/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1.
What are the key properties of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one?
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one has a molecular weight of 389.37 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one is sourced from PubChem (CID 154714994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).