2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole

C23H23NO3 — CID 23432028

IUPAC2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole
SMILESC/C=C/COc1ccc(-c2cnc(-c3ccc(OC/C=C/C)cc3)o2)cc1
InChIInChI=1S/C23H23NO3/c1-3-5-15-25-20-11-7-18(8-12-20)22-17-24-23(27-22)19-9-13-21(14-10-19)26-16-6-4-2/h3-14,17H,15-16H2,1-2H3/b5-3+,6-4+
InChIKeyHPKNRPMTWIUOBN-GGWOSOGESA-N
MW361.44 g/mol
LogP5.92
Rot. Bonds8

About 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole

2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole (PubChem CID 23432028) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole
PubChem CID23432028
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole
SMILESC/C=C/COc1ccc(-c2cnc(-c3ccc(OC/C=C/C)cc3)o2)cc1
InChIInChI=1S/C23H23NO3/c1-3-5-15-25-20-11-7-18(8-12-20)22-17-24-23(27-22)19-9-13-21(14-10-19)26-16-6-4-2/h3-14,17H,15-16H2,1-2H3/b5-3+,6-4+
InChIKeyHPKNRPMTWIUOBN-GGWOSOGESA-N
XLogP5.92
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole?
The IUPAC name of 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole (CID 23432028) is 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole.
What is the SMILES notation for 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole?
The canonical SMILES for 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole is C/C=C/COc1ccc(-c2cnc(-c3ccc(OC/C=C/C)cc3)o2)cc1.
What is the InChIKey of 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole?
The InChIKey is HPKNRPMTWIUOBN-GGWOSOGESA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-5-15-25-20-11-7-18(8-12-20)22-17-24-23(27-22)19-9-13-21(14-10-19)26-16-6-4-2/h3-14,17H,15-16H2,1-2H3/b5-3+,6-4+.
What are the key properties of 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole?
2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole has a molecular weight of 361.44 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-[(E)-but-2-enoxy]phenyl]-1,3-oxazole is sourced from PubChem (CID 23432028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).