N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline

C19H14N2O — CID 127259737

IUPACN-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
SMILESC(=C/c1nc2c(ccc3ccccc32)o1)\Nc1ccccc1
InChIInChI=1S/C19H14N2O/c1-2-7-15(8-3-1)20-13-12-18-21-19-16-9-5-4-6-14(16)10-11-17(19)22-18/h1-13,20H/b13-12+
InChIKeyOBFTUPUCVFDBSA-OUKQBFOZSA-N
MW286.33 g/mol
LogP5.06
Rot. Bonds3

About N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline

N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline (PubChem CID 127259737) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline.

Molecular Properties

Compound NameN-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
PubChem CID127259737
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC NameN-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
SMILESC(=C/c1nc2c(ccc3ccccc32)o1)\Nc1ccccc1
InChIInChI=1S/C19H14N2O/c1-2-7-15(8-3-1)20-13-12-18-21-19-16-9-5-4-6-14(16)10-11-17(19)22-18/h1-13,20H/b13-12+
InChIKeyOBFTUPUCVFDBSA-OUKQBFOZSA-N
XLogP5.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
The IUPAC name of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline (CID 127259737) is N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline.
What is the SMILES notation for N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
The canonical SMILES for N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline is C(=C/c1nc2c(ccc3ccccc32)o1)\Nc1ccccc1.
What is the InChIKey of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
The InChIKey is OBFTUPUCVFDBSA-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-7-15(8-3-1)20-13-12-18-21-19-16-9-5-4-6-14(16)10-11-17(19)22-18/h1-13,20H/b13-12+.
What are the key properties of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline has a molecular weight of 286.33 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline is sourced from PubChem (CID 127259737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).