2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole

C19H23NO — CID 170255251

IUPAC2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole
SMILESC=C/C=C\C=C(/C)c1nc(C/C(C=C)=C/C=C\C)oc1C
InChIInChI=1S/C19H23NO/c1-6-9-11-12-15(4)19-16(5)21-18(20-19)14-17(8-3)13-10-7-2/h6-13H,1,3,14H2,2,4-5H3/b10-7-,11-9-,15-12+,17-13+
InChIKeySUISXACQXRQPGE-WICMUDHKSA-N
MW281.40 g/mol
LogP5.36
Rot. Bonds7

About 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole

2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole (PubChem CID 170255251) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole
PubChem CID170255251
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole
SMILESC=C/C=C\C=C(/C)c1nc(C/C(C=C)=C/C=C\C)oc1C
InChIInChI=1S/C19H23NO/c1-6-9-11-12-15(4)19-16(5)21-18(20-19)14-17(8-3)13-10-7-2/h6-13H,1,3,14H2,2,4-5H3/b10-7-,11-9-,15-12+,17-13+
InChIKeySUISXACQXRQPGE-WICMUDHKSA-N
XLogP5.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole (CID 170255251) is 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole is C=C/C=C\C=C(/C)c1nc(C/C(C=C)=C/C=C\C)oc1C.
What is the InChIKey of 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole?
The InChIKey is SUISXACQXRQPGE-WICMUDHKSA-N. The full InChI is InChI=1S/C19H23NO/c1-6-9-11-12-15(4)19-16(5)21-18(20-19)14-17(8-3)13-10-7-2/h6-13H,1,3,14H2,2,4-5H3/b10-7-,11-9-,15-12+,17-13+.
What are the key properties of 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole?
2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole has a molecular weight of 281.40 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 170255251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).