2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole

C15H19NO — CID 102043111

IUPAC2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
SMILESCCC/C=C(\CCC)c1nc2ccccc2o1
InChIInChI=1S/C15H19NO/c1-3-5-9-12(8-4-2)15-16-13-10-6-7-11-14(13)17-15/h6-7,9-11H,3-5,8H2,1-2H3/b12-9+
InChIKeyCDXCFOUPPSZWCY-FMIVXFBMSA-N
MW229.32 g/mol
LogP4.81
Rot. Bonds5

About 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole

2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole (PubChem CID 102043111) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
PubChem CID102043111
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
SMILESCCC/C=C(\CCC)c1nc2ccccc2o1
InChIInChI=1S/C15H19NO/c1-3-5-9-12(8-4-2)15-16-13-10-6-7-11-14(13)17-15/h6-7,9-11H,3-5,8H2,1-2H3/b12-9+
InChIKeyCDXCFOUPPSZWCY-FMIVXFBMSA-N
XLogP4.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole (CID 102043111) is 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole is CCC/C=C(\CCC)c1nc2ccccc2o1.
What is the InChIKey of 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole?
The InChIKey is CDXCFOUPPSZWCY-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-9-12(8-4-2)15-16-13-10-6-7-11-14(13)17-15/h6-7,9-11H,3-5,8H2,1-2H3/b12-9+.
What are the key properties of 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole?
2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole has a molecular weight of 229.32 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 102043111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).