4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole

C16H19NO2 — CID 139382706

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole
SMILESC=C/C=C\C(=C/OC)c1nocc1C(/C=C\C)=C/C
InChIInChI=1S/C16H19NO2/c1-5-8-10-14(11-18-4)16-15(12-19-17-16)13(7-3)9-6-2/h5-12H,1H2,2-4H3/b9-6-,10-8-,13-7+,14-11+
InChIKeyMZELVOATYUKFEE-KIUVKEFYSA-N
MW257.33 g/mol
LogP4.38
Rot. Bonds6

About 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole

4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole (PubChem CID 139382706) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole
PubChem CID139382706
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole
SMILESC=C/C=C\C(=C/OC)c1nocc1C(/C=C\C)=C/C
InChIInChI=1S/C16H19NO2/c1-5-8-10-14(11-18-4)16-15(12-19-17-16)13(7-3)9-6-2/h5-12H,1H2,2-4H3/b9-6-,10-8-,13-7+,14-11+
InChIKeyMZELVOATYUKFEE-KIUVKEFYSA-N
XLogP4.38
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(2E,4Z)-octa-2,4-dien-6-yn-3-yl]-1,2-oxazole
CID 144587036
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazole
CID 166164658
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-pyrazole
CID 144586960
2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine
CID 145357948
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dimethylthiophene
CID 131982212
1-bromo-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 144639814
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
CID 142183430
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzoic acid;methoxyethene
CID 143785797
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline
CID 145370684
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
CID 143793777

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole (CID 139382706) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole is C=C/C=C\C(=C/OC)c1nocc1C(/C=C\C)=C/C.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole?
The InChIKey is MZELVOATYUKFEE-KIUVKEFYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-5-8-10-14(11-18-4)16-15(12-19-17-16)13(7-3)9-6-2/h5-12H,1H2,2-4H3/b9-6-,10-8-,13-7+,14-11+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole has a molecular weight of 257.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-[(1E,3Z)-1-methoxyhexa-1,3,5-trien-2-yl]-1,2-oxazole is sourced from PubChem (CID 139382706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).