2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole

C17H15NO3 — CID 18083405

IUPAC2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3o2)c(OC)c1
InChIInChI=1S/C17H15NO3/c1-19-13-9-7-12(16(11-13)20-2)8-10-17-18-14-5-3-4-6-15(14)21-17/h3-11H,1-2H3/b10-8+
InChIKeyGPAJEWDVPKOKDR-CSKARUKUSA-N
MW281.31 g/mol
LogP4.02
Rot. Bonds4

About 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole

2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 18083405) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
PubChem CID18083405
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3o2)c(OC)c1
InChIInChI=1S/C17H15NO3/c1-19-13-9-7-12(16(11-13)20-2)8-10-17-18-14-5-3-4-6-15(14)21-17/h3-11H,1-2H3/b10-8+
InChIKeyGPAJEWDVPKOKDR-CSKARUKUSA-N
XLogP4.02
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole (CID 18083405) is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole is COc1ccc(/C=C/c2nc3ccccc3o2)c(OC)c1.
What is the InChIKey of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is GPAJEWDVPKOKDR-CSKARUKUSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-13-9-7-12(16(11-13)20-2)8-10-17-18-14-5-3-4-6-15(14)21-17/h3-11H,1-2H3/b10-8+.
What are the key properties of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 281.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 18083405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).