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

C16H13NO — CID 6213131

IUPAC2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
SMILESCc1cccc(/C=C/c2nc3ccccc3o2)c1
InChIInChI=1S/C16H13NO/c1-12-5-4-6-13(11-12)9-10-16-17-14-7-2-3-8-15(14)18-16/h2-11H,1H3/b10-9+
InChIKeyKNWSNUXRPMNYEL-MDZDMXLPSA-N
MW235.29 g/mol
LogP4.31
Rot. Bonds2

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

2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 6213131) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
PubChem CID6213131
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
SMILESCc1cccc(/C=C/c2nc3ccccc3o2)c1
InChIInChI=1S/C16H13NO/c1-12-5-4-6-13(11-12)9-10-16-17-14-7-2-3-8-15(14)18-16/h2-11H,1H3/b10-9+
InChIKeyKNWSNUXRPMNYEL-MDZDMXLPSA-N
XLogP4.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
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-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;5-methyl-2-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole
CID 158708290

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole (CID 6213131) is 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole is Cc1cccc(/C=C/c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is KNWSNUXRPMNYEL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13NO/c1-12-5-4-6-13(11-12)9-10-16-17-14-7-2-3-8-15(14)18-16/h2-11H,1H3/b10-9+.
What are the key properties of 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole?
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 235.29 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 6213131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).