N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine

C11H5Cl2FN4O — CID 166929376

IUPACN-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2nc(Nc3cc(Cl)nnc3Cl)oc2c1
InChIInChI=1S/C11H5Cl2FN4O/c12-9-4-7(10(13)18-17-9)16-11-15-6-2-1-5(14)3-8(6)19-11/h1-4H,(H,15,16,17)
InChIKeyMRWCVWBHIXMMGJ-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.81
Rot. Bonds2

About N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine

N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine (PubChem CID 166929376) has the molecular formula C11H5Cl2FN4O and a molecular weight of 299.09 g/mol. Its IUPAC name is N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine
PubChem CID166929376
Molecular FormulaC11H5Cl2FN4O
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC NameN-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2nc(Nc3cc(Cl)nnc3Cl)oc2c1
InChIInChI=1S/C11H5Cl2FN4O/c12-9-4-7(10(13)18-17-9)16-11-15-6-2-1-5(14)3-8(6)19-11/h1-4H,(H,15,16,17)
InChIKeyMRWCVWBHIXMMGJ-UHFFFAOYSA-N
XLogP3.81
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine (CID 166929376) is N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine is Fc1ccc2nc(Nc3cc(Cl)nnc3Cl)oc2c1.
What is the InChIKey of N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is MRWCVWBHIXMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN4O/c12-9-4-7(10(13)18-17-9)16-11-15-6-2-1-5(14)3-8(6)19-11/h1-4H,(H,15,16,17).
What are the key properties of N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine?
N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 299.09 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 166929376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).