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

C15H10Br2N2O — CID 62830001

IUPAC3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Br)c1-c1ccccc1Br
InChIInChI=1S/C15H10Br2N2O/c16-11-7-3-1-5-9(11)13-14(19-20-15(13)18)10-6-2-4-8-12(10)17/h1-8H,18H2
InChIKeyMDRCRGAWGQOGPS-UHFFFAOYSA-N
MW394.07 g/mol
LogP5.12
Rot. Bonds2

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

3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 62830001) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
PubChem CID62830001
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Br)c1-c1ccccc1Br
InChIInChI=1S/C15H10Br2N2O/c16-11-7-3-1-5-9(11)13-14(19-20-15(13)18)10-6-2-4-8-12(10)17/h1-8H,18H2
InChIKeyMDRCRGAWGQOGPS-UHFFFAOYSA-N
XLogP5.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.07
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine (CID 62830001) is 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2Br)c1-c1ccccc1Br.
What is the InChIKey of 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is MDRCRGAWGQOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-11-7-3-1-5-9(11)13-14(19-20-15(13)18)10-6-2-4-8-12(10)17/h1-8H,18H2.
What are the key properties of 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine?
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine has a molecular weight of 394.07 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62830001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).