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

C9H6BrFN2O — CID 117395502

IUPAC4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)ccc1Br
InChIInChI=1S/C9H6BrFN2O/c10-8-2-1-5(11)3-6(8)7-4-13-14-9(7)12/h1-4H,12H2
InChIKeyPDQFYBJJCMGGTP-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.83
Rot. Bonds1

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

4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 117395502) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID117395502
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)ccc1Br
InChIInChI=1S/C9H6BrFN2O/c10-8-2-1-5(11)3-6(8)7-4-13-14-9(7)12/h1-4H,12H2
InChIKeyPDQFYBJJCMGGTP-UHFFFAOYSA-N
XLogP2.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(2-bromo-3,4-difluorophenyl)-1,2-oxazol-5-amine
CID 117439381
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107923647
4-(5-bromo-2,3-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490147
3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 113490737
5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine (CID 117395502) is 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc(F)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is PDQFYBJJCMGGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-8-2-1-5(11)3-6(8)7-4-13-14-9(7)12/h1-4H,12H2.
What are the key properties of 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 257.06 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117395502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).