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

C14H9BrClN3O — CID 80521611

IUPAC3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)ccc2Cl)c1-c1ccccn1
InChIInChI=1S/C14H9BrClN3O/c15-8-4-5-10(16)9(7-8)13-12(14(17)20-19-13)11-3-1-2-6-18-11/h1-7H,17H2
InChIKeyFBPNNXQJSNWELM-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.40
Rot. Bonds2

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

3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (PubChem CID 80521611) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
PubChem CID80521611
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)ccc2Cl)c1-c1ccccn1
InChIInChI=1S/C14H9BrClN3O/c15-8-4-5-10(16)9(7-8)13-12(14(17)20-19-13)11-3-1-2-6-18-11/h1-7H,17H2
InChIKeyFBPNNXQJSNWELM-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 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (CID 80521611) is 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cc(Br)ccc2Cl)c1-c1ccccn1.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The InChIKey is FBPNNXQJSNWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-8-4-5-10(16)9(7-8)13-12(14(17)20-19-13)11-3-1-2-6-18-11/h1-7H,17H2.
What are the key properties of 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-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 3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80521611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).