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

C16H12Br2N2O — CID 81480212

IUPAC5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2Br)cc1Br
InChIInChI=1S/C16H12Br2N2O/c1-9-6-7-10(8-13(9)18)15-14(16(19)20-21-15)11-4-2-3-5-12(11)17/h2-8H,1H3,(H2,19,20)
InChIKeyGTLJCSNPURSYEU-UHFFFAOYSA-N
MW408.09 g/mol
LogP5.42
Rot. Bonds2

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

5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine (PubChem CID 81480212) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
PubChem CID81480212
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2Br)cc1Br
InChIInChI=1S/C16H12Br2N2O/c1-9-6-7-10(8-13(9)18)15-14(16(19)20-21-15)11-4-2-3-5-12(11)17/h2-8H,1H3,(H2,19,20)
InChIKeyGTLJCSNPURSYEU-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine (CID 81480212) is 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2ccccc2Br)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine?
The InChIKey is GTLJCSNPURSYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c1-9-6-7-10(8-13(9)18)15-14(16(19)20-21-15)11-4-2-3-5-12(11)17/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine?
5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-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 5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 81480212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).