5-methyl-2-pyridin-2-yl-1,3-benzoxazole

C13H10N2O — CID 12031006

IUPAC5-methyl-2-pyridin-2-yl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccccn3)nc2c1
InChIInChI=1S/C13H10N2O/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h2-8H,1H3
InChIKeyAHQXYROHTGVAFE-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.20
Rot. Bonds1

About 5-methyl-2-pyridin-2-yl-1,3-benzoxazole

5-methyl-2-pyridin-2-yl-1,3-benzoxazole (PubChem CID 12031006) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methyl-2-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-pyridin-2-yl-1,3-benzoxazole
PubChem CID12031006
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-methyl-2-pyridin-2-yl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccccn3)nc2c1
InChIInChI=1S/C13H10N2O/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h2-8H,1H3
InChIKeyAHQXYROHTGVAFE-UHFFFAOYSA-N
XLogP3.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
2-pyridin-2-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158867
5-methyl-2-(1,10-phenanthrolin-2-yl)-1,3-benzoxazole
CID 102035737
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098943
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole
CID 102514034
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole
CID 141453373

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-2-yl-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-pyridin-2-yl-1,3-benzoxazole (CID 12031006) is 5-methyl-2-pyridin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-pyridin-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-pyridin-2-yl-1,3-benzoxazole is Cc1ccc2oc(-c3ccccn3)nc2c1.
What is the InChIKey of 5-methyl-2-pyridin-2-yl-1,3-benzoxazole?
The InChIKey is AHQXYROHTGVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h2-8H,1H3.
What are the key properties of 5-methyl-2-pyridin-2-yl-1,3-benzoxazole?
5-methyl-2-pyridin-2-yl-1,3-benzoxazole has a molecular weight of 210.24 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 12031006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).