3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline

C30H19N5O2 — CID 23335084

IUPAC3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cc(-c2nnc(-c3ccc4ccccc4c3)o2)cc(-c2nnc(-c3ccc4ccccc4c3)o2)c1
InChIInChI=1S/C30H19N5O2/c31-26-16-24(29-34-32-27(36-29)22-11-9-18-5-1-3-7-20(18)13-22)15-25(17-26)30-35-33-28(37-30)23-12-10-19-6-2-4-8-21(19)14-23/h1-17H,31H2
InChIKeyFFCJDKCJQBCCCM-UHFFFAOYSA-N
MW481.52 g/mol
LogP7.01
Rot. Bonds4

About 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline

3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 23335084) has the molecular formula C30H19N5O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID23335084
Molecular FormulaC30H19N5O2
Molecular Weight481.52 g/mol
Exact Mass481.15
IUPAC Name3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cc(-c2nnc(-c3ccc4ccccc4c3)o2)cc(-c2nnc(-c3ccc4ccccc4c3)o2)c1
InChIInChI=1S/C30H19N5O2/c31-26-16-24(29-34-32-27(36-29)22-11-9-18-5-1-3-7-20(18)13-22)15-25(17-26)30-35-33-28(37-30)23-12-10-19-6-2-4-8-21(19)14-23/h1-17H,31H2
InChIKeyFFCJDKCJQBCCCM-UHFFFAOYSA-N
XLogP7.01
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline 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 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline (CID 23335084) is 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline is Nc1cc(-c2nnc(-c3ccc4ccccc4c3)o2)cc(-c2nnc(-c3ccc4ccccc4c3)o2)c1.
What is the InChIKey of 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is FFCJDKCJQBCCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5O2/c31-26-16-24(29-34-32-27(36-29)22-11-9-18-5-1-3-7-20(18)13-22)15-25(17-26)30-35-33-28(37-30)23-12-10-19-6-2-4-8-21(19)14-23/h1-17H,31H2.
What are the key properties of 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline?
3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 481.52 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 23335084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).