4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile

C15H9Cl2N5O — CID 25023332

IUPAC4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nnc(Nc3c(Cl)cccc3Cl)o2)cc1
InChIInChI=1S/C15H9Cl2N5O/c16-11-2-1-3-12(17)13(11)20-15-22-21-14(23-15)19-10-6-4-9(8-18)5-7-10/h1-7H,(H,19,21)(H,20,22)
InChIKeyNSYUPULDEYZCPO-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.74
Rot. Bonds4

About 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile

4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile (PubChem CID 25023332) has the molecular formula C15H9Cl2N5O and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile
PubChem CID25023332
Molecular FormulaC15H9Cl2N5O
Molecular Weight346.18 g/mol
Exact Mass345.02
IUPAC Name4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nnc(Nc3c(Cl)cccc3Cl)o2)cc1
InChIInChI=1S/C15H9Cl2N5O/c16-11-2-1-3-12(17)13(11)20-15-22-21-14(23-15)19-10-6-4-9(8-18)5-7-10/h1-7H,(H,19,21)(H,20,22)
InChIKeyNSYUPULDEYZCPO-UHFFFAOYSA-N
XLogP4.74
TPSA86.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile (CID 25023332) is 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile is N#Cc1ccc(Nc2nnc(Nc3c(Cl)cccc3Cl)o2)cc1.
What is the InChIKey of 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile?
The InChIKey is NSYUPULDEYZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5O/c16-11-2-1-3-12(17)13(11)20-15-22-21-14(23-15)19-10-6-4-9(8-18)5-7-10/h1-7H,(H,19,21)(H,20,22).
What are the key properties of 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile?
4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile has a molecular weight of 346.18 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile is sourced from PubChem (CID 25023332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).