4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine

C14H9BrFN3O — CID 104639034

IUPAC4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cn2)c1-c1ccccc1Br
InChIInChI=1S/C14H9BrFN3O/c15-10-4-2-1-3-9(10)12-13(19-20-14(12)17)11-6-5-8(16)7-18-11/h1-7H,17H2
InChIKeyLGCAMMYGEHWTPO-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.89
Rot. Bonds2

About 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine

4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine (PubChem CID 104639034) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
PubChem CID104639034
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cn2)c1-c1ccccc1Br
InChIInChI=1S/C14H9BrFN3O/c15-10-4-2-1-3-9(10)12-13(19-20-14(12)17)11-6-5-8(16)7-18-11/h1-7H,17H2
InChIKeyLGCAMMYGEHWTPO-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

4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
4-ethyl-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
CID 104639025
3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 104853236
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
CID 62829297
3-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 81460037

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine (CID 104639034) is 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(F)cn2)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine?
The InChIKey is LGCAMMYGEHWTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-10-4-2-1-3-9(10)12-13(19-20-14(12)17)11-6-5-8(16)7-18-11/h1-7H,17H2.
What are the key properties of 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine?
4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-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 4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 104639034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).