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

C16H12Br2N2O — CID 107982866

IUPAC3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2noc(N)c2-c2ccc(Br)cc2)c1Br
InChIInChI=1S/C16H12Br2N2O/c1-9-3-2-4-12(14(9)18)15-13(16(19)21-20-15)10-5-7-11(17)8-6-10/h2-8H,19H2,1H3
InChIKeyVVLULWJEAFFZMK-UHFFFAOYSA-N
MW408.09 g/mol
LogP5.42
Rot. Bonds2

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

3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 107982866) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
PubChem CID107982866
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2noc(N)c2-c2ccc(Br)cc2)c1Br
InChIInChI=1S/C16H12Br2N2O/c1-9-3-2-4-12(14(9)18)15-13(16(19)21-20-15)10-5-7-11(17)8-6-10/h2-8H,19H2,1H3
InChIKeyVVLULWJEAFFZMK-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

3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 107982868
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 81454071
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
3-(2,4-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107955338
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552823
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 107982875
3-(5-bromo-2-methylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine;ethane
CID 144602769

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine (CID 107982866) is 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine is Cc1cccc(-c2noc(N)c2-c2ccc(Br)cc2)c1Br.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is VVLULWJEAFFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c1-9-3-2-4-12(14(9)18)15-13(16(19)21-20-15)10-5-7-11(17)8-6-10/h2-8H,19H2,1H3.
What are the key properties of 3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine?
3-(2-bromo-3-methylphenyl)-4-(4-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-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107982866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).