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

C16H12Br2N2O — CID 104853236

IUPAC3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)cc(-c2noc(N)c2-c2ccccc2Br)c1
InChIInChI=1S/C16H12Br2N2O/c1-9-6-10(8-11(17)7-9)15-14(16(19)21-20-15)12-4-2-3-5-13(12)18/h2-8H,19H2,1H3
InChIKeyAFHCYMSHSUDIEQ-UHFFFAOYSA-N
MW408.09 g/mol
LogP5.42
Rot. Bonds2

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

3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 104853236) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
PubChem CID104853236
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)cc(-c2noc(N)c2-c2ccccc2Br)c1
InChIInChI=1S/C16H12Br2N2O/c1-9-6-10(8-11(17)7-9)15-14(16(19)21-20-15)12-4-2-3-5-13(12)18/h2-8H,19H2,1H3
InChIKeyAFHCYMSHSUDIEQ-UHFFFAOYSA-N
XLogP5.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.09
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
CID 81317351
3-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 81460037
3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104853233
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
CID 62829297
3-(3-bromo-5-chlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107955314
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
4-(2-bromophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62829472
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine (CID 104853236) is 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine is Cc1cc(Br)cc(-c2noc(N)c2-c2ccccc2Br)c1.
What is the InChIKey of 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is AFHCYMSHSUDIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c1-9-6-10(8-11(17)7-9)15-14(16(19)21-20-15)12-4-2-3-5-13(12)18/h2-8H,19H2,1H3.
What are the key properties of 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine has a molecular weight of 408.09 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 104853236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).