5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

C8H6BrN3O — CID 3490544

IUPAC5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyCVVNMXRTDJRCHC-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.08
Rot. Bonds1

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

5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 3490544) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID3490544
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyCVVNMXRTDJRCHC-UHFFFAOYSA-N
XLogP2.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-bromophenyl)-1,3,4-oxadiazol-2-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 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine (CID 3490544) is 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CVVNMXRTDJRCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12).
What are the key properties of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.06 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3490544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).