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

C15H10BrFN2O — CID 43560892

IUPAC4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2F)c1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrFN2O/c16-10-5-3-4-9(8-10)13-14(19-20-15(13)18)11-6-1-2-7-12(11)17/h1-8H,18H2
InChIKeyCLXATXAASWPQOG-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.49
Rot. Bonds2

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

4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43560892) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43560892
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2F)c1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrFN2O/c16-10-5-3-4-9(8-10)13-14(19-20-15(13)18)11-6-1-2-7-12(11)17/h1-8H,18H2
InChIKeyCLXATXAASWPQOG-UHFFFAOYSA-N
XLogP4.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
3-(3-bromo-5-chlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107955314
4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 81454071
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522997
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 102801823
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine (CID 43560892) is 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2F)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is CLXATXAASWPQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-10-5-3-4-9(8-10)13-14(19-20-15(13)18)11-6-1-2-7-12(11)17/h1-8H,18H2.
What are the key properties of 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 333.16 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43560892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).