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

C15H9BrF2N2O — CID 66203992

IUPAC4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(F)c2F)c1-c1ccccc1Br
InChIInChI=1S/C15H9BrF2N2O/c16-10-6-2-1-4-8(10)12-14(21-20-15(12)19)9-5-3-7-11(17)13(9)18/h1-7H,(H2,19,20)
InChIKeyRUJCLHQIRJJQME-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.63
Rot. Bonds2

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

4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66203992) has the molecular formula C15H9BrF2N2O and a molecular weight of 351.15 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID66203992
Molecular FormulaC15H9BrF2N2O
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC Name4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(F)c2F)c1-c1ccccc1Br
InChIInChI=1S/C15H9BrF2N2O/c16-10-6-2-1-4-8(10)12-14(21-20-15(12)19)9-5-3-7-11(17)13(9)18/h1-7H,(H2,19,20)
InChIKeyRUJCLHQIRJJQME-UHFFFAOYSA-N
XLogP4.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198096
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107954870
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
5-(3-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
CID 107995505
5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 81448884
5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
CID 81480212
5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 114561338
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344
5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199755
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine (CID 66203992) is 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cccc(F)c2F)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is RUJCLHQIRJJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O/c16-10-6-2-1-4-8(10)12-14(21-20-15(12)19)9-5-3-7-11(17)13(9)18/h1-7H,(H2,19,20).
What are the key properties of 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine?
4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 351.15 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66203992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).