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

C12H8BrN5O — CID 162649606

IUPAC5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESBrc1cccc(-c2nnc(Nc3ncccn3)o2)c1
InChIInChI=1S/C12H8BrN5O/c13-9-4-1-3-8(7-9)10-17-18-12(19-10)16-11-14-5-2-6-15-11/h1-7H,(H,14,15,16,18)
InChIKeyKSKNQTZZBVZTRJ-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.03
Rot. Bonds3

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

5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 162649606) has the molecular formula C12H8BrN5O and a molecular weight of 318.13 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID162649606
Molecular FormulaC12H8BrN5O
Molecular Weight318.13 g/mol
Exact Mass316.99
IUPAC Name5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESBrc1cccc(-c2nnc(Nc3ncccn3)o2)c1
InChIInChI=1S/C12H8BrN5O/c13-9-4-1-3-8(7-9)10-17-18-12(19-10)16-11-14-5-2-6-15-11/h1-7H,(H,14,15,16,18)
InChIKeyKSKNQTZZBVZTRJ-UHFFFAOYSA-N
XLogP3.03
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-bromophenyl)-N-pyrimidin-2-yl-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)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (CID 162649606) is 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is Brc1cccc(-c2nnc(Nc3ncccn3)o2)c1.
What is the InChIKey of 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is KSKNQTZZBVZTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5O/c13-9-4-1-3-8(7-9)10-17-18-12(19-10)16-11-14-5-2-6-15-11/h1-7H,(H,14,15,16,18).
What are the key properties of 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 318.13 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162649606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).