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

C14H9BrFN3O — CID 107954870

IUPAC5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Br)c2F)c1-c1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-10-5-1-4-9(12(10)16)13-11(14(17)19-20-13)8-3-2-6-18-7-8/h1-7H,(H2,17,19)
InChIKeyRFBRCGOYKXDCOW-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.89
Rot. Bonds2

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

5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 107954870) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID107954870
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Br)c2F)c1-c1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-10-5-1-4-9(12(10)16)13-11(14(17)19-20-13)8-3-2-6-18-7-8/h1-7H,(H2,17,19)
InChIKeyRFBRCGOYKXDCOW-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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Related Compounds

5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524209
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
3-(3-bromo-2-fluorophenyl)pyridine
CID 67900310
5-(5-bromofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524267
4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine
CID 66203992
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523943
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
5-(2,5-dimethylfuran-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524208
5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107967228
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 107954850
4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200908

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 107954870) is 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccc(Br)c2F)c1-c1cccnc1.
What is the InChIKey of 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is RFBRCGOYKXDCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-10-5-1-4-9(12(10)16)13-11(14(17)19-20-13)8-3-2-6-18-7-8/h1-7H,(H2,17,19).
What are the key properties of 5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(3-bromo-2-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-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 107954870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).