2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole

C21H17NO3 — CID 91684040

IUPAC2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
SMILESCOc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1OC
InChIInChI=1S/C21H17NO3/c1-23-19-10-6-9-16(20(19)24-2)21-22-17-13-15(11-12-18(17)25-21)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyQHOISFKTTSOINW-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.18
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole

2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole (PubChem CID 91684040) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
PubChem CID91684040
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
SMILESCOc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1OC
InChIInChI=1S/C21H17NO3/c1-23-19-10-6-9-16(20(19)24-2)21-22-17-13-15(11-12-18(17)25-21)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyQHOISFKTTSOINW-UHFFFAOYSA-N
XLogP5.18
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
CID 53141190
2-(2,3-dimethoxyphenyl)-6-nitro-1,3-benzoxazole
CID 91684001
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710
2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 95911059
4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline
CID 142897917
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
CID 95910362
3-bromo-4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 95910793
6-[4-(trifluoromethyl)phenyl]-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
CID 46085735
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole (CID 91684040) is 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole is COc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole?
The InChIKey is QHOISFKTTSOINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-23-19-10-6-9-16(20(19)24-2)21-22-17-13-15(11-12-18(17)25-21)14-7-4-3-5-8-14/h3-13H,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole?
2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole has a molecular weight of 331.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 91684040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).