2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole

C22H16N2O2 — CID 102587552

IUPAC2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
SMILESCc1cc(C)c(-c2nc3ccccc3o2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C22H16N2O2/c1-13-11-14(2)16(22-24-18-8-4-6-10-20(18)26-22)12-15(13)21-23-17-7-3-5-9-19(17)25-21/h3-12H,1-2H3
InChIKeyFTJXPHVADOBKLM-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.92
Rot. Bonds2

About 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole

2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole (PubChem CID 102587552) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
PubChem CID102587552
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
SMILESCc1cc(C)c(-c2nc3ccccc3o2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C22H16N2O2/c1-13-11-14(2)16(22-24-18-8-4-6-10-20(18)26-22)12-15(13)21-23-17-7-3-5-9-19(17)25-21/h3-12H,1-2H3
InChIKeyFTJXPHVADOBKLM-UHFFFAOYSA-N
XLogP5.92
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-(1,4-dimethylpyridin-1-ium-3-yl)-1,3-benzoxazole
CID 12597855
2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole
CID 126575970
2-(4-diethoxyphosphoryl-2-methylphenyl)-1,3-benzoxazole
CID 154174196
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(4-methylquinolin-8-yl)-1,3-benzoxazole
CID 12597845
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
CID 165357068

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole (CID 102587552) is 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole is Cc1cc(C)c(-c2nc3ccccc3o2)cc1-c1nc2ccccc2o1.
What is the InChIKey of 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole?
The InChIKey is FTJXPHVADOBKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-13-11-14(2)16(22-24-18-8-4-6-10-20(18)26-22)12-15(13)21-23-17-7-3-5-9-19(17)25-21/h3-12H,1-2H3.
What are the key properties of 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole?
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole has a molecular weight of 340.38 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole is sourced from PubChem (CID 102587552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).