4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine

C15H14N6O — CID 167447147

IUPAC4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2nnc(-c3cccc(N)c3)o2)ccc1N
InChIInChI=1S/C15H14N6O/c16-8-10-7-12(4-5-13(10)18)19-15-21-20-14(22-15)9-2-1-3-11(17)6-9/h1-8,16H,17-18H2,(H,19,21)/b16-8+
InChIKeyJHTLGFLMFCUYBX-LZYBPNLTSA-N
MW294.32 g/mol
LogP2.64
Rot. Bonds4

About 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine

4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine (PubChem CID 167447147) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine
PubChem CID167447147
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2nnc(-c3cccc(N)c3)o2)ccc1N
InChIInChI=1S/C15H14N6O/c16-8-10-7-12(4-5-13(10)18)19-15-21-20-14(22-15)9-2-1-3-11(17)6-9/h1-8,16H,17-18H2,(H,19,21)/b16-8+
InChIKeyJHTLGFLMFCUYBX-LZYBPNLTSA-N
XLogP2.64
TPSA126.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine 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 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
The IUPAC name of 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine (CID 167447147) is 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine is [H]/N=C/c1cc(Nc2nnc(-c3cccc(N)c3)o2)ccc1N.
What is the InChIKey of 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
The InChIKey is JHTLGFLMFCUYBX-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H14N6O/c16-8-10-7-12(4-5-13(10)18)19-15-21-20-14(22-15)9-2-1-3-11(17)6-9/h1-8,16H,17-18H2,(H,19,21)/b16-8+.
What are the key properties of 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine has a molecular weight of 294.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]-2-methanimidoylbenzene-1,4-diamine is sourced from PubChem (CID 167447147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).