6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine

C13H11N3O2 — CID 70281057

IUPAC6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine
SMILESCOc1ccc2c(Nc3ccccn3)noc2c1
InChIInChI=1S/C13H11N3O2/c1-17-9-5-6-10-11(8-9)18-16-13(10)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyJCKQDWXJFQDMII-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.97
Rot. Bonds3

About 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine

6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine (PubChem CID 70281057) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine
PubChem CID70281057
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine
SMILESCOc1ccc2c(Nc3ccccn3)noc2c1
InChIInChI=1S/C13H11N3O2/c1-17-9-5-6-10-11(8-9)18-16-13(10)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyJCKQDWXJFQDMII-UHFFFAOYSA-N
XLogP2.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine (CID 70281057) is 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine is COc1ccc2c(Nc3ccccn3)noc2c1.
What is the InChIKey of 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine?
The InChIKey is JCKQDWXJFQDMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-9-5-6-10-11(8-9)18-16-13(10)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15,16).
What are the key properties of 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine?
6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pyridin-2-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 70281057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).