2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole

C21H23NO3 — CID 6445997

IUPAC2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(/C=C(/C2=NC(C)(C)CO2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H23NO3/c1-21(2)14-25-20(22-21)19(16-8-6-5-7-9-16)12-15-10-17(23-3)13-18(11-15)24-4/h5-13H,14H2,1-4H3/b19-12+
InChIKeyIEJBDDCTTGXDBJ-XDHOZWIPSA-N
MW337.42 g/mol
LogP4.45
Rot. Bonds5

About 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 6445997) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID6445997
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(/C=C(/C2=NC(C)(C)CO2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H23NO3/c1-21(2)14-25-20(22-21)19(16-8-6-5-7-9-16)12-15-10-17(23-3)13-18(11-15)24-4/h5-13H,14H2,1-4H3/b19-12+
InChIKeyIEJBDDCTTGXDBJ-XDHOZWIPSA-N
XLogP4.45
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 6445997) is 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole is COc1cc(/C=C(/C2=NC(C)(C)CO2)c2ccccc2)cc(OC)c1.
What is the InChIKey of 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is IEJBDDCTTGXDBJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C21H23NO3/c1-21(2)14-25-20(22-21)19(16-8-6-5-7-9-16)12-15-10-17(23-3)13-18(11-15)24-4/h5-13H,14H2,1-4H3/b19-12+.
What are the key properties of 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 337.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 6445997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).