5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine

C22H16N6O2 — CID 11463599

IUPAC5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccc(-c4nnc(Nc5ccccc5)o4)cc3)o2)cc1
InChIInChI=1S/C22H16N6O2/c1-3-7-17(8-4-1)23-21-27-25-19(29-21)15-11-13-16(14-12-15)20-26-28-22(30-20)24-18-9-5-2-6-10-18/h1-14H,(H,23,27)(H,24,28)
InChIKeyOOEJBAPNXLXBLJ-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.27
Rot. Bonds6

About 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine

5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 11463599) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID11463599
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccc(-c4nnc(Nc5ccccc5)o4)cc3)o2)cc1
InChIInChI=1S/C22H16N6O2/c1-3-7-17(8-4-1)23-21-27-25-19(29-21)15-11-13-16(14-12-15)20-26-28-22(30-20)24-18-9-5-2-6-10-18/h1-14H,(H,23,27)(H,24,28)
InChIKeyOOEJBAPNXLXBLJ-UHFFFAOYSA-N
XLogP5.27
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
N-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 71527254
5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11045337
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 15141971
5-(2-methyl-3-pyridinyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 143729405
5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
CID 12533205
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 110168819
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine (CID 11463599) is 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine is c1ccc(Nc2nnc(-c3ccc(-c4nnc(Nc5ccccc5)o4)cc3)o2)cc1.
What is the InChIKey of 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is OOEJBAPNXLXBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c1-3-7-17(8-4-1)23-21-27-25-19(29-21)15-11-13-16(14-12-15)20-26-28-22(30-20)24-18-9-5-2-6-10-18/h1-14H,(H,23,27)(H,24,28).
What are the key properties of 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 396.41 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11463599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).