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

C13H10N2O — CID 646454

IUPAC6-methyl-2-pyridin-2-yl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C13H10N2O/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3
InChIKeyFCVLTYALDWKRND-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.20
Rot. Bonds1

About 6-methyl-2-pyridin-2-yl-1,3-benzoxazole

6-methyl-2-pyridin-2-yl-1,3-benzoxazole (PubChem CID 646454) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-methyl-2-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-pyridin-2-yl-1,3-benzoxazole
PubChem CID646454
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name6-methyl-2-pyridin-2-yl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C13H10N2O/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3
InChIKeyFCVLTYALDWKRND-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-2-yl-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-pyridin-2-yl-1,3-benzoxazole (CID 646454) is 6-methyl-2-pyridin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-pyridin-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-pyridin-2-yl-1,3-benzoxazole is Cc1ccc2nc(-c3ccccn3)oc2c1.
What is the InChIKey of 6-methyl-2-pyridin-2-yl-1,3-benzoxazole?
The InChIKey is FCVLTYALDWKRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3.
What are the key properties of 6-methyl-2-pyridin-2-yl-1,3-benzoxazole?
6-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 6-methyl-2-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 646454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).