5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine

C14H9BrClN3O — CID 107954872

IUPAC5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccncc1
InChIInChI=1S/C14H9BrClN3O/c15-10-5-9(6-11(16)7-10)13-12(14(17)19-20-13)8-1-3-18-4-2-8/h1-7H,(H2,17,19)
InChIKeyRKJWCEBSFLBYPU-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.40
Rot. Bonds2

About 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine

5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 107954872) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID107954872
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccncc1
InChIInChI=1S/C14H9BrClN3O/c15-10-5-9(6-11(16)7-10)13-12(14(17)19-20-13)8-1-3-18-4-2-8/h1-7H,(H2,17,19)
InChIKeyRKJWCEBSFLBYPU-UHFFFAOYSA-N
XLogP4.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 107954872) is 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccncc1.
What is the InChIKey of 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is RKJWCEBSFLBYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-10-5-9(6-11(16)7-10)13-12(14(17)19-20-13)8-1-3-18-4-2-8/h1-7H,(H2,17,19).
What are the key properties of 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 350.60 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 107954872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).