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

C20H21NO4 — CID 171341363

IUPAC(5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one
SMILESCCC[C@]1(c2ccccc2)OC(c2cc(OC)cc(OC)c2)=NC1=O
InChIInChI=1S/C20H21NO4/c1-4-10-20(15-8-6-5-7-9-15)19(22)21-18(25-20)14-11-16(23-2)13-17(12-14)24-3/h5-9,11-13H,4,10H2,1-3H3/t20-/m1/s1
InChIKeyAZMWQCSNFFQRHX-HXUWFJFHSA-N
MW339.39 g/mol
LogP3.70
Rot. Bonds6

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

(5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one (PubChem CID 171341363) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one
PubChem CID171341363
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one
SMILESCCC[C@]1(c2ccccc2)OC(c2cc(OC)cc(OC)c2)=NC1=O
InChIInChI=1S/C20H21NO4/c1-4-10-20(15-8-6-5-7-9-15)19(22)21-18(25-20)14-11-16(23-2)13-17(12-14)24-3/h5-9,11-13H,4,10H2,1-3H3/t20-/m1/s1
InChIKeyAZMWQCSNFFQRHX-HXUWFJFHSA-N
XLogP3.70
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one (CID 171341363) is (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one is CCC[C@]1(c2ccccc2)OC(c2cc(OC)cc(OC)c2)=NC1=O.
What is the InChIKey of (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
The InChIKey is AZMWQCSNFFQRHX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-10-20(15-8-6-5-7-9-15)19(22)21-18(25-20)14-11-16(23-2)13-17(12-14)24-3/h5-9,11-13H,4,10H2,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one?
(5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one has a molecular weight of 339.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyl-1,3-oxazol-4-one is sourced from PubChem (CID 171341363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).