(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one

C21H23NO4 — CID 134949883

IUPAC(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one
SMILESCC[C@]1([C@H](CCO)c2ccccc2)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H23NO4/c1-3-21(18(13-14-23)15-7-5-4-6-8-15)20(24)22-19(26-21)16-9-11-17(25-2)12-10-16/h4-12,18,23H,3,13-14H2,1-2H3/t18-,21-/m1/s1
InChIKeyMFXQCSKNHDOXKM-WIYYLYMNSA-N
MW353.42 g/mol
LogP3.31
Rot. Bonds7

About (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one

(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one (PubChem CID 134949883) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one
PubChem CID134949883
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one
SMILESCC[C@]1([C@H](CCO)c2ccccc2)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H23NO4/c1-3-21(18(13-14-23)15-7-5-4-6-8-15)20(24)22-19(26-21)16-9-11-17(25-2)12-10-16/h4-12,18,23H,3,13-14H2,1-2H3/t18-,21-/m1/s1
InChIKeyMFXQCSKNHDOXKM-WIYYLYMNSA-N
XLogP3.31
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-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
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
CID 154714994
5-[(2,5-Diethoxyphenyl)methyl]-2-phenyl-1,3-oxazolin-4-one
CID 4315825
(5R)-5-[(1S)-1-(2,4-dimethoxyphenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 101340930
(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
(R)-2-(4-methoxyphenyl)-5-phenyl-5-propyloxazol-4(5H)-one
CID 171341361
(R)-2-(3,5-dimethoxyphenyl)-5-phenyl-5-propyloxazol-4(5H)-one
CID 171341363
(R)-5-(4-methoxyphenyl)-2-phenyl-5-propyloxazol-4(5H)-one
CID 171341373

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one (CID 134949883) is (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one is CC[C@]1([C@H](CCO)c2ccccc2)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one?
The InChIKey is MFXQCSKNHDOXKM-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-21(18(13-14-23)15-7-5-4-6-8-15)20(24)22-19(26-21)16-9-11-17(25-2)12-10-16/h4-12,18,23H,3,13-14H2,1-2H3/t18-,21-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one?
(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one has a molecular weight of 353.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one is sourced from PubChem (CID 134949883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).