3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine

C26H32N2O2 — CID 154953359

IUPAC3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC=C/C=C\C1=C(C=C)OCN(C(/C=C(\C)N2COC(/C=C\C)=C(C=C)C2)=C/C=C)C1
InChIInChI=1S/C26H32N2O2/c1-7-12-15-23-18-28(20-29-25(23)11-5)24(13-8-2)16-21(6)27-17-22(10-4)26(14-9-3)30-19-27/h7-16H,1-2,4-5,17-20H2,3,6H3/b14-9-,15-12-,21-16+,24-13+
InChIKeyKFDOFTWTTBAGBB-VRSYQJRESA-N
MW404.55 g/mol
LogP5.74
Rot. Bonds9

About 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine

3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (PubChem CID 154953359) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
PubChem CID154953359
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC=C/C=C\C1=C(C=C)OCN(C(/C=C(\C)N2COC(/C=C\C)=C(C=C)C2)=C/C=C)C1
InChIInChI=1S/C26H32N2O2/c1-7-12-15-23-18-28(20-29-25(23)11-5)24(13-8-2)16-21(6)27-17-22(10-4)26(14-9-3)30-19-27/h7-16H,1-2,4-5,17-20H2,3,6H3/b14-9-,15-12-,21-16+,24-13+
InChIKeyKFDOFTWTTBAGBB-VRSYQJRESA-N
XLogP5.74
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine 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 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The IUPAC name of 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (CID 154953359) is 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is C=C/C=C\C1=C(C=C)OCN(C(/C=C(\C)N2COC(/C=C\C)=C(C=C)C2)=C/C=C)C1.
What is the InChIKey of 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The InChIKey is KFDOFTWTTBAGBB-VRSYQJRESA-N. The full InChI is InChI=1S/C26H32N2O2/c1-7-12-15-23-18-28(20-29-25(23)11-5)24(13-8-2)16-21(6)27-17-22(10-4)26(14-9-3)30-19-27/h7-16H,1-2,4-5,17-20H2,3,6H3/b14-9-,15-12-,21-16+,24-13+.
What are the key properties of 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine has a molecular weight of 404.55 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-4-[5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-2,4-dihydro-1,3-oxazin-3-yl]hepta-2,4,6-trien-2-yl]-5-ethenyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 154953359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).