5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole

C24H19NO2 — CID 22310159

IUPAC5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(-c3ccc(/C=C/c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H19NO2/c1-26-22-15-13-20(14-16-22)23-17-25-24(27-23)21-11-9-19(10-12-21)8-7-18-5-3-2-4-6-18/h2-17H,1H3/b8-7+
InChIKeyRVDUXWRQFQYEJT-BQYQJAHWSA-N
MW353.42 g/mol
LogP6.19
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole

5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole (PubChem CID 22310159) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole
PubChem CID22310159
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(-c3ccc(/C=C/c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H19NO2/c1-26-22-15-13-20(14-16-22)23-17-25-24(27-23)21-11-9-19(10-12-21)8-7-18-5-3-2-4-6-18/h2-17H,1H3/b8-7+
InChIKeyRVDUXWRQFQYEJT-BQYQJAHWSA-N
XLogP6.19
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole (CID 22310159) is 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole is COc1ccc(-c2cnc(-c3ccc(/C=C/c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole?
The InChIKey is RVDUXWRQFQYEJT-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H19NO2/c1-26-22-15-13-20(14-16-22)23-17-25-24(27-23)21-11-9-19(10-12-21)8-7-18-5-3-2-4-6-18/h2-17H,1H3/b8-7+.
What are the key properties of 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole?
5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole has a molecular weight of 353.42 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 22310159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).