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

C16H12BrFN2O — CID 43157955

IUPAC3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2cc(Br)ccc2F)noc1N
InChIInChI=1S/C16H12BrFN2O/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)12-8-10(17)6-7-13(12)18/h2-8H,19H2,1H3
InChIKeyCFQJXFPCTIMMPH-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.80
Rot. Bonds2

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

3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 43157955) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID43157955
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2cc(Br)ccc2F)noc1N
InChIInChI=1S/C16H12BrFN2O/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)12-8-10(17)6-7-13(12)18/h2-8H,19H2,1H3
InChIKeyCFQJXFPCTIMMPH-UHFFFAOYSA-N
XLogP4.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
3-(3-bromo-5-chlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107955314
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (CID 43157955) is 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccccc1-c1c(-c2cc(Br)ccc2F)noc1N.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is CFQJXFPCTIMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)12-8-10(17)6-7-13(12)18/h2-8H,19H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 347.19 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43157955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).