4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole

C16H23NO — CID 146292296

IUPAC4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole
SMILESC=CC1=COC(C(/C=C\C)=C/C(=C)C(C)C)N1C
InChIInChI=1S/C16H23NO/c1-7-9-14(10-13(5)12(3)4)16-17(6)15(8-2)11-18-16/h7-12,16H,2,5H2,1,3-4,6H3/b9-7-,14-10+
InChIKeyKOMPKZQFOJFDLA-TUZZZSKRSA-N
MW245.37 g/mol
LogP4.02
Rot. Bonds5

About 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole

4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole (PubChem CID 146292296) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole.

Molecular Properties

Compound Name4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole
PubChem CID146292296
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole
SMILESC=CC1=COC(C(/C=C\C)=C/C(=C)C(C)C)N1C
InChIInChI=1S/C16H23NO/c1-7-9-14(10-13(5)12(3)4)16-17(6)15(8-2)11-18-16/h7-12,16H,2,5H2,1,3-4,6H3/b9-7-,14-10+
InChIKeyKOMPKZQFOJFDLA-TUZZZSKRSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.02
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 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole?
The IUPAC name of 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole (CID 146292296) is 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole.
What is the SMILES notation for 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole?
The canonical SMILES for 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole is C=CC1=COC(C(/C=C\C)=C/C(=C)C(C)C)N1C.
What is the InChIKey of 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole?
The InChIKey is KOMPKZQFOJFDLA-TUZZZSKRSA-N. The full InChI is InChI=1S/C16H23NO/c1-7-9-14(10-13(5)12(3)4)16-17(6)15(8-2)11-18-16/h7-12,16H,2,5H2,1,3-4,6H3/b9-7-,14-10+.
What are the key properties of 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole?
4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole has a molecular weight of 245.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methyl-2-[(2Z,4E)-7-methyl-6-methylideneocta-2,4-dien-4-yl]-2H-1,3-oxazole is sourced from PubChem (CID 146292296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).