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

C14H9BrClN3O — CID 80523152

IUPAC3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)ccc2Cl)c1-c1cccnc1
InChIInChI=1S/C14H9BrClN3O/c15-9-3-4-11(16)10(6-9)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,17H2
InChIKeyWQJAMOFAULSFGU-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.40
Rot. Bonds2

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

3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (PubChem CID 80523152) 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-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
PubChem CID80523152
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)ccc2Cl)c1-c1cccnc1
InChIInChI=1S/C14H9BrClN3O/c15-9-3-4-11(16)10(6-9)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,17H2
InChIKeyWQJAMOFAULSFGU-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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Related Compounds

3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522997
3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523150
3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521611
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55078987
3-(2,3-dimethylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523111
3-(2-fluoro-3-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 81477801
3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523025
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
3-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522526
3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 43670956
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (CID 80523152) is 3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is Nc1onc(-c2cc(Br)ccc2Cl)c1-c1cccnc1.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The InChIKey is WQJAMOFAULSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-9-3-4-11(16)10(6-9)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,17H2.
What are the key properties of 3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
3-(5-bromo-2-chlorophenyl)-4-pyridin-3-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-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80523152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).