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

C14H9Br2N3O — CID 107954873

IUPAC5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)cc2Br)c1-c1ccncc1
InChIInChI=1S/C14H9Br2N3O/c15-9-1-2-10(11(16)7-9)13-12(14(17)19-20-13)8-3-5-18-6-4-8/h1-7H,(H2,17,19)
InChIKeyNZLLJOVSYFMXOD-UHFFFAOYSA-N
MW395.05 g/mol
LogP4.51
Rot. Bonds2

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

5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 107954873) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID107954873
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)cc2Br)c1-c1ccncc1
InChIInChI=1S/C14H9Br2N3O/c15-9-1-2-10(11(16)7-9)13-12(14(17)19-20-13)8-3-5-18-6-4-8/h1-7H,(H2,17,19)
InChIKeyNZLLJOVSYFMXOD-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

5-(4-bromo-2-methoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 115370350
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872
5-(3-bromo-5-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80524785
5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525756
5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66198471
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
CID 136812972
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812973
5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525895
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 107954873) is 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Br)cc2Br)c1-c1ccncc1.
What is the InChIKey of 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is NZLLJOVSYFMXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-9-1-2-10(11(16)7-9)13-12(14(17)19-20-13)8-3-5-18-6-4-8/h1-7H,(H2,17,19).
What are the key properties of 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-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 5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 107954873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).