2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole

C22H17NO2 — CID 58943106

IUPAC2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
SMILESC=Cc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C22H17NO2/c1-2-16-7-9-17(10-8-16)15-24-19-13-11-18(12-14-19)22-23-20-5-3-4-6-21(20)25-22/h2-14H,1,15H2
InChIKeyGAKJJENIQZWNKM-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.72
Rot. Bonds5

About 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole

2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole (PubChem CID 58943106) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
PubChem CID58943106
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
SMILESC=Cc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C22H17NO2/c1-2-16-7-9-17(10-8-16)15-24-19-13-11-18(12-14-19)22-23-20-5-3-4-6-21(20)25-22/h2-14H,1,15H2
InChIKeyGAKJJENIQZWNKM-UHFFFAOYSA-N
XLogP5.72
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-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-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline
CID 166918117
[3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate
CID 162174567
2-[4-[(4-ethenylphenyl)methoxy]phenyl]pyridine
CID 59748631
5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione
CID 3033780
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 3499921
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 4550659
2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 135887727
4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide
CID 24772014
2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3-benzoxazole
CID 154207991

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole (CID 58943106) is 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole is C=Cc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole?
The InChIKey is GAKJJENIQZWNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-2-16-7-9-17(10-8-16)15-24-19-13-11-18(12-14-19)22-23-20-5-3-4-6-21(20)25-22/h2-14H,1,15H2.
What are the key properties of 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole?
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole has a molecular weight of 327.38 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 58943106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).