(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one

C21H21NO2 — CID 138969922

IUPAC(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(C(C)C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C21H21NO2/c1-4-18(16-11-7-5-8-12-16)21(15(2)3)20(23)22-19(24-21)17-13-9-6-10-14-17/h4-15,18H,1H2,2-3H3/t18-,21+/m0/s1
InChIKeyRPMPMUMLVDXEIX-GHTZIAJQSA-N
MW319.40 g/mol
LogP4.35
Rot. Bonds5

About (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one

(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one (PubChem CID 138969922) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one
PubChem CID138969922
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(C(C)C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C21H21NO2/c1-4-18(16-11-7-5-8-12-16)21(15(2)3)20(23)22-19(24-21)17-13-9-6-10-14-17/h4-15,18H,1H2,2-3H3/t18-,21+/m0/s1
InChIKeyRPMPMUMLVDXEIX-GHTZIAJQSA-N
XLogP4.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one (CID 138969922) is (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one is C=C[C@@H](c1ccccc1)[C@@]1(C(C)C)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one?
The InChIKey is RPMPMUMLVDXEIX-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H21NO2/c1-4-18(16-11-7-5-8-12-16)21(15(2)3)20(23)22-19(24-21)17-13-9-6-10-14-17/h4-15,18H,1H2,2-3H3/t18-,21+/m0/s1.
What are the key properties of (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one?
(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one has a molecular weight of 319.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one is sourced from PubChem (CID 138969922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).