5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole

C22H16N2O2 — CID 950413

IUPAC5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cccc(-c4nc5cc(C)ccc5o4)c3)nc2c1
InChIInChI=1S/C22H16N2O2/c1-13-6-8-19-17(10-13)23-21(25-19)15-4-3-5-16(12-15)22-24-18-11-14(2)7-9-20(18)26-22/h3-12H,1-2H3
InChIKeyVYGLDYGFHNZGDB-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.92
Rot. Bonds2

About 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole

5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 950413) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
PubChem CID950413
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cccc(-c4nc5cc(C)ccc5o4)c3)nc2c1
InChIInChI=1S/C22H16N2O2/c1-13-6-8-19-17(10-13)23-21(25-19)15-4-3-5-16(12-15)22-24-18-11-14(2)7-9-20(18)26-22/h3-12H,1-2H3
InChIKeyVYGLDYGFHNZGDB-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

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
5-methyl-2-[3-(1,2,4-triazol-4-yl)phenyl]-1,3-benzoxazole
CID 50849470
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine
CID 555899
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 50880177
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
5-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide
CID 102552415
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole (CID 950413) is 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole is Cc1ccc2oc(-c3cccc(-c4nc5cc(C)ccc5o4)c3)nc2c1.
What is the InChIKey of 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is VYGLDYGFHNZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-13-6-8-19-17(10-13)23-21(25-19)15-4-3-5-16(12-15)22-24-18-11-14(2)7-9-20(18)26-22/h3-12H,1-2H3.
What are the key properties of 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-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 5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).