5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine

C14H12IN3O — CID 155534166

IUPAC5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc([125I])ccc3o2)cn1
InChIInChI=1S/C14H12IN3O/c1-18(2)13-6-3-9(8-16-13)14-17-11-7-10(15)4-5-12(11)19-14/h3-8H,1-2H3/i15-2
InChIKeyQFXSFMXKGHWKFO-VLPIPSKASA-N
MW363.17 g/mol
LogP3.56
Rot. Bonds2

About 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine

5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine (PubChem CID 155534166) has the molecular formula C14H12IN3O and a molecular weight of 363.17 g/mol. Its IUPAC name is 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine
PubChem CID155534166
Molecular FormulaC14H12IN3O
Molecular Weight363.17 g/mol
Exact Mass363.00
IUPAC Name5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3cc([125I])ccc3o2)cn1
InChIInChI=1S/C14H12IN3O/c1-18(2)13-6-3-9(8-16-13)14-17-11-7-10(15)4-5-12(11)19-14/h3-8H,1-2H3/i15-2
InChIKeyQFXSFMXKGHWKFO-VLPIPSKASA-N
XLogP3.56
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine (CID 155534166) is 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3cc([125I])ccc3o2)cn1.
What is the InChIKey of 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine?
The InChIKey is QFXSFMXKGHWKFO-VLPIPSKASA-N. The full InChI is InChI=1S/C14H12IN3O/c1-18(2)13-6-3-9(8-16-13)14-17-11-7-10(15)4-5-12(11)19-14/h3-8H,1-2H3/i15-2.
What are the key properties of 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine?
5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine has a molecular weight of 363.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-(125I)iodo-1,3-benzoxazol-2-yl)-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 155534166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).