4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

C26H24N6O2 — CID 590419

IUPAC4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(N(C)C)cc5)o4)cc3)o2)cc1
InChIInChI=1S/C26H24N6O2/c1-31(2)21-13-9-19(10-14-21)25-29-27-23(33-25)17-5-7-18(8-6-17)24-28-30-26(34-24)20-11-15-22(16-12-20)32(3)4/h5-16H,1-4H3
InChIKeyUSAMDBBNHXIKHB-UHFFFAOYSA-N
MW452.52 g/mol
LogP5.25
Rot. Bonds6

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

4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 590419) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
PubChem CID590419
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(N(C)C)cc5)o4)cc3)o2)cc1
InChIInChI=1S/C26H24N6O2/c1-31(2)21-13-9-19(10-14-21)25-29-27-23(33-25)17-5-7-18(8-6-17)24-28-30-26(34-24)20-11-15-22(16-12-20)32(3)4/h5-16H,1-4H3
InChIKeyUSAMDBBNHXIKHB-UHFFFAOYSA-N
XLogP5.25
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (CID 590419) is 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(N(C)C)cc5)o4)cc3)o2)cc1.
What is the InChIKey of 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The InChIKey is USAMDBBNHXIKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-31(2)21-13-9-19(10-14-21)25-29-27-23(33-25)17-5-7-18(8-6-17)24-28-30-26(34-24)20-11-15-22(16-12-20)32(3)4/h5-16H,1-4H3.
What are the key properties of 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 452.52 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 590419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).