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

C14H9Br2N3O — CID 107972794

IUPAC3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)cc(Br)c2)c1-c1ccncc1
InChIInChI=1S/C14H9Br2N3O/c15-10-5-9(6-11(16)7-10)13-12(14(17)20-19-13)8-1-3-18-4-2-8/h1-7H,17H2
InChIKeyJGFUGYQFUVIACB-UHFFFAOYSA-N
MW395.05 g/mol
LogP4.51
Rot. Bonds2

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

3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 107972794) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID107972794
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)cc(Br)c2)c1-c1ccncc1
InChIInChI=1S/C14H9Br2N3O/c15-10-5-9(6-11(16)7-10)13-12(14(17)20-19-13)8-1-3-18-4-2-8/h1-7H,17H2
InChIKeyJGFUGYQFUVIACB-UHFFFAOYSA-N
XLogP4.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107962951
3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 107972780
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 106861629
3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 150892773
4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552823
3-(5-ethylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524773
3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 114022695

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 107972794) is 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2cc(Br)cc(Br)c2)c1-c1ccncc1.
What is the InChIKey of 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is JGFUGYQFUVIACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-10-5-9(6-11(16)7-10)13-12(14(17)20-19-13)8-1-3-18-4-2-8/h1-7H,17H2.
What are the key properties of 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 395.05 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 107972794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).