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

C26H24N6O3 — CID 146591739

IUPAC3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one
SMILESCN(C)c1ccc(-c2noc(-c3ccccc3-n3c(-c4ccc(N(C)C)cc4)noc3=O)n2)cc1
InChIInChI=1S/C26H24N6O3/c1-30(2)19-13-9-17(10-14-19)23-27-25(34-28-23)21-7-5-6-8-22(21)32-24(29-35-26(32)33)18-11-15-20(16-12-18)31(3)4/h5-16H,1-4H3
InChIKeyBYQKNEQFTPQZHH-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.34
Rot. Bonds6

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

3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one (PubChem CID 146591739) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one
PubChem CID146591739
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one
SMILESCN(C)c1ccc(-c2noc(-c3ccccc3-n3c(-c4ccc(N(C)C)cc4)noc3=O)n2)cc1
InChIInChI=1S/C26H24N6O3/c1-30(2)19-13-9-17(10-14-19)23-27-25(34-28-23)21-7-5-6-8-22(21)32-24(29-35-26(32)33)18-11-15-20(16-12-18)31(3)4/h5-16H,1-4H3
InChIKeyBYQKNEQFTPQZHH-UHFFFAOYSA-N
XLogP4.34
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one (CID 146591739) is 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one is CN(C)c1ccc(-c2noc(-c3ccccc3-n3c(-c4ccc(N(C)C)cc4)noc3=O)n2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one?
The InChIKey is BYQKNEQFTPQZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-30(2)19-13-9-17(10-14-19)23-27-25(34-28-23)21-7-5-6-8-22(21)32-24(29-35-26(32)33)18-11-15-20(16-12-18)31(3)4/h5-16H,1-4H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one?
3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one has a molecular weight of 468.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146591739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).