4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline

C15H12N2O — CID 3147188

IUPAC4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
SMILESNc1ccc(C=Cc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H12N2O/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2
InChIKeyPYZMFWTYTXKKNP-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.58
Rot. Bonds2

About 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline

4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline (PubChem CID 3147188) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
PubChem CID3147188
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
SMILESNc1ccc(C=Cc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H12N2O/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2
InChIKeyPYZMFWTYTXKKNP-UHFFFAOYSA-N
XLogP3.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 20692325
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155553595
4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 136810517
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 59970333
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline?
The IUPAC name of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline (CID 3147188) is 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline.
What is the SMILES notation for 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline?
The canonical SMILES for 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline is Nc1ccc(C=Cc2nc3ccccc3o2)cc1.
What is the InChIKey of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline?
The InChIKey is PYZMFWTYTXKKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2.
What are the key properties of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline?
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline has a molecular weight of 236.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline is sourced from PubChem (CID 3147188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).