1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol

C24H30N2O3 — CID 89382995

IUPAC1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol
SMILESCN(C)c1ccc(/C=C/c2nc3ccc(C(C)(C)OCC(C)(C)O)cc3o2)cc1
InChIInChI=1S/C24H30N2O3/c1-23(2,27)16-28-24(3,4)18-10-13-20-21(15-18)29-22(25-20)14-9-17-7-11-19(12-8-17)26(5)6/h7-15,27H,16H2,1-6H3/b14-9+
InChIKeyIQYSGGRLJRVEER-NTEUORMPSA-N
MW394.52 g/mol
LogP5.09
Rot. Bonds7

About 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol

1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol (PubChem CID 89382995) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol
PubChem CID89382995
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol
SMILESCN(C)c1ccc(/C=C/c2nc3ccc(C(C)(C)OCC(C)(C)O)cc3o2)cc1
InChIInChI=1S/C24H30N2O3/c1-23(2,27)16-28-24(3,4)18-10-13-20-21(15-18)29-22(25-20)14-9-17-7-11-19(12-8-17)26(5)6/h7-15,27H,16H2,1-6H3/b14-9+
InChIKeyIQYSGGRLJRVEER-NTEUORMPSA-N
XLogP5.09
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol 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 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol (CID 89382995) is 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol is CN(C)c1ccc(/C=C/c2nc3ccc(C(C)(C)OCC(C)(C)O)cc3o2)cc1.
What is the InChIKey of 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol?
The InChIKey is IQYSGGRLJRVEER-NTEUORMPSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-23(2,27)16-28-24(3,4)18-10-13-20-21(15-18)29-22(25-20)14-9-17-7-11-19(12-8-17)26(5)6/h7-15,27H,16H2,1-6H3/b14-9+.
What are the key properties of 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol?
1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol has a molecular weight of 394.52 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol is sourced from PubChem (CID 89382995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).