5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine

C15H15N3O2 — CID 54585860

IUPAC5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine
SMILES[3H]C([3H])([3H])N(c1ccc(-c2nc3ccc(OC)cc3o2)cn1)C([3H])([3H])[3H]
InChIInChI=1S/C15H15N3O2/c1-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19-3)8-13(12)20-15/h4-9H,1-3H3/i1T3,2T3
InChIKeyZKTVEWCZBLTWOU-VQBNBCTGSA-N
MW281.35 g/mol
LogP2.96
Rot. Bonds5

About 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine

5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine (PubChem CID 54585860) has the molecular formula C15H15N3O2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine
PubChem CID54585860
Molecular FormulaC15H15N3O2
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine
SMILES[3H]C([3H])([3H])N(c1ccc(-c2nc3ccc(OC)cc3o2)cn1)C([3H])([3H])[3H]
InChIInChI=1S/C15H15N3O2/c1-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19-3)8-13(12)20-15/h4-9H,1-3H3/i1T3,2T3
InChIKeyZKTVEWCZBLTWOU-VQBNBCTGSA-N
XLogP2.96
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine (CID 54585860) is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine is [3H]C([3H])([3H])N(c1ccc(-c2nc3ccc(OC)cc3o2)cn1)C([3H])([3H])[3H].
What is the InChIKey of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine?
The InChIKey is ZKTVEWCZBLTWOU-VQBNBCTGSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19-3)8-13(12)20-15/h4-9H,1-3H3/i1T3,2T3.
What are the key properties of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine?
5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine has a molecular weight of 281.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine is sourced from PubChem (CID 54585860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).