(5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one

C19H19NO3 — CID 171341361

IUPAC(5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one
SMILESCCC[C@]1(c2ccccc2)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C19H19NO3/c1-3-13-19(15-7-5-4-6-8-15)18(21)20-17(23-19)14-9-11-16(22-2)12-10-14/h4-12H,3,13H2,1-2H3/t19-/m1/s1
InChIKeyJMDXEGHAKZBMSW-LJQANCHMSA-N
MW309.37 g/mol
LogP3.69
Rot. Bonds5

About (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one

(5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one (PubChem CID 171341361) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one
PubChem CID171341361
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one
SMILESCCC[C@]1(c2ccccc2)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C19H19NO3/c1-3-13-19(15-7-5-4-6-8-15)18(21)20-17(23-19)14-9-11-16(22-2)12-10-14/h4-12H,3,13H2,1-2H3/t19-/m1/s1
InChIKeyJMDXEGHAKZBMSW-LJQANCHMSA-N
XLogP3.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one (CID 171341361) is (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one is CCC[C@]1(c2ccccc2)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
The InChIKey is JMDXEGHAKZBMSW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-13-19(15-7-5-4-6-8-15)18(21)20-17(23-19)14-9-11-16(22-2)12-10-14/h4-12H,3,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
(5R)-2-(4-methoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one has a molecular weight of 309.37 g/mol, XLogP of 3.69, 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-phenyl-5-propyl-1,3-oxazol-4-one is sourced from PubChem (CID 171341361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).