2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole

C23H16N2O — CID 126575970

IUPAC2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole
SMILESCc1cc(-c2ccc3ncccc3c2)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C23H16N2O/c1-15-13-16(17-9-11-20-18(14-17)5-4-12-24-20)8-10-19(15)23-25-21-6-2-3-7-22(21)26-23/h2-14H,1H3
InChIKeyYQQFVRQFUSQROT-UHFFFAOYSA-N
MW336.39 g/mol
LogP6.02
Rot. Bonds2

About 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole

2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole (PubChem CID 126575970) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole
PubChem CID126575970
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole
SMILESCc1cc(-c2ccc3ncccc3c2)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C23H16N2O/c1-15-13-16(17-9-11-20-18(14-17)5-4-12-24-20)8-10-19(15)23-25-21-6-2-3-7-22(21)26-23/h2-14H,1H3
InChIKeyYQQFVRQFUSQROT-UHFFFAOYSA-N
XLogP6.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-(4-methylquinolin-7-yl)-1,3-benzoxazole
CID 4963038
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
6-(3-methylphenyl)quinoline
CID 4185278
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966
2-(4-diethoxyphosphoryl-2-methylphenyl)-1,3-benzoxazole
CID 154174196
6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole
CID 130440836
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline
CID 165150202
2-[4-(4-ethoxyphenyl)-2-fluorophenyl]-1,3-benzoxazole
CID 122387572
4-methyl-3-quinolin-6-ylaniline
CID 81224667
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole (CID 126575970) is 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole is Cc1cc(-c2ccc3ncccc3c2)ccc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole?
The InChIKey is YQQFVRQFUSQROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-15-13-16(17-9-11-20-18(14-17)5-4-12-24-20)8-10-19(15)23-25-21-6-2-3-7-22(21)26-23/h2-14H,1H3.
What are the key properties of 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole?
2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole has a molecular weight of 336.39 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-quinolin-6-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 126575970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).