6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole

C21H15N3O2 — CID 3237500

IUPAC6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
SMILESCc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5o4)n3)oc2c1
InChIInChI=1S/C21H15N3O2/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21/h3-11H,1-2H3
InChIKeyJUJONGIPNATMEM-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.31
Rot. Bonds2

About 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole

6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole (PubChem CID 3237500) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
PubChem CID3237500
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
SMILESCc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5o4)n3)oc2c1
InChIInChI=1S/C21H15N3O2/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21/h3-11H,1-2H3
InChIKeyJUJONGIPNATMEM-UHFFFAOYSA-N
XLogP5.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole (CID 3237500) is 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole is Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5o4)n3)oc2c1.
What is the InChIKey of 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The InChIKey is JUJONGIPNATMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21/h3-11H,1-2H3.
What are the key properties of 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole has a molecular weight of 341.37 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[6-(6-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 3237500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).