3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole

C16H22N2O — CID 89269771

IUPAC3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole
SMILESCCN1c2ccccc2OC1/C=C/N1CCCCC1
InChIInChI=1S/C16H22N2O/c1-2-18-14-8-4-5-9-15(14)19-16(18)10-13-17-11-6-3-7-12-17/h4-5,8-10,13,16H,2-3,6-7,11-12H2,1H3/b13-10+
InChIKeyFVSCLMYUFKPDAY-JLHYYAGUSA-N
MW258.37 g/mol
LogP3.23
Rot. Bonds3

About 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole

3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole (PubChem CID 89269771) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole
PubChem CID89269771
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole
SMILESCCN1c2ccccc2OC1/C=C/N1CCCCC1
InChIInChI=1S/C16H22N2O/c1-2-18-14-8-4-5-9-15(14)19-16(18)10-13-17-11-6-3-7-12-17/h4-5,8-10,13,16H,2-3,6-7,11-12H2,1H3/b13-10+
InChIKeyFVSCLMYUFKPDAY-JLHYYAGUSA-N
XLogP3.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole?
The IUPAC name of 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole (CID 89269771) is 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole.
What is the SMILES notation for 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole?
The canonical SMILES for 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole is CCN1c2ccccc2OC1/C=C/N1CCCCC1.
What is the InChIKey of 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole?
The InChIKey is FVSCLMYUFKPDAY-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18-14-8-4-5-9-15(14)19-16(18)10-13-17-11-6-3-7-12-17/h4-5,8-10,13,16H,2-3,6-7,11-12H2,1H3/b13-10+.
What are the key properties of 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole?
3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole has a molecular weight of 258.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-2H-1,3-benzoxazole is sourced from PubChem (CID 89269771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).