5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole

C20H19NO — CID 164674707

IUPAC5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole
SMILESC=C[C@H](Cc1nc(-c2ccccc2)c(C)o1)c1ccccc1
InChIInChI=1S/C20H19NO/c1-3-16(17-10-6-4-7-11-17)14-19-21-20(15(2)22-19)18-12-8-5-9-13-18/h3-13,16H,1,14H2,2H3/t16-/m1/s1
InChIKeyLZASDQXVPXOUMD-MRXNPFEDSA-N
MW289.38 g/mol
LogP5.16
Rot. Bonds5

About 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole

5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole (PubChem CID 164674707) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole
PubChem CID164674707
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole
SMILESC=C[C@H](Cc1nc(-c2ccccc2)c(C)o1)c1ccccc1
InChIInChI=1S/C20H19NO/c1-3-16(17-10-6-4-7-11-17)14-19-21-20(15(2)22-19)18-12-8-5-9-13-18/h3-13,16H,1,14H2,2H3/t16-/m1/s1
InChIKeyLZASDQXVPXOUMD-MRXNPFEDSA-N
XLogP5.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.16
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 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole (CID 164674707) is 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole is C=C[C@H](Cc1nc(-c2ccccc2)c(C)o1)c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole?
The InChIKey is LZASDQXVPXOUMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19NO/c1-3-16(17-10-6-4-7-11-17)14-19-21-20(15(2)22-19)18-12-8-5-9-13-18/h3-13,16H,1,14H2,2H3/t16-/m1/s1.
What are the key properties of 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole?
5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole has a molecular weight of 289.38 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole is sourced from PubChem (CID 164674707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).