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

C14H9BrFN3O — CID 80524209

IUPAC5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)ccc2Br)c1-c1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-11-4-3-9(16)6-10(11)13-12(14(17)19-20-13)8-2-1-5-18-7-8/h1-7H,(H2,17,19)
InChIKeyKVHDJZOXMKMEPP-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.89
Rot. Bonds2

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

5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 80524209) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID80524209
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)ccc2Br)c1-c1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-11-4-3-9(16)6-10(11)13-12(14(17)19-20-13)8-2-1-5-18-7-8/h1-7H,(H2,17,19)
InChIKeyKVHDJZOXMKMEPP-UHFFFAOYSA-N
XLogP3.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 80524209) is 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc(F)ccc2Br)c1-c1cccnc1.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is KVHDJZOXMKMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-11-4-3-9(16)6-10(11)13-12(14(17)19-20-13)8-2-1-5-18-7-8/h1-7H,(H2,17,19).
What are the key properties of 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 334.15 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80524209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).