2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol

C33H28N4O2 — CID 53320816

IUPAC2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol
SMILESCN(C)c1ccc(-c2nnc(Cn3c(-c4ccccc4O)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1
InChIInChI=1S/C33H28N4O2/c1-36(2)26-19-17-25(18-20-26)33-35-34-31(39-33)22-37-29(27-15-9-10-16-30(27)38)21-28(23-11-5-3-6-12-23)32(37)24-13-7-4-8-14-24/h3-21,38H,22H2,1-2H3
InChIKeyARBJNANGZIFYSG-UHFFFAOYSA-N
MW512.61 g/mol
LogP7.36
Rot. Bonds7

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

2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol (PubChem CID 53320816) has the molecular formula C33H28N4O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol
PubChem CID53320816
Molecular FormulaC33H28N4O2
Molecular Weight512.61 g/mol
Exact Mass512.22
IUPAC Name2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol
SMILESCN(C)c1ccc(-c2nnc(Cn3c(-c4ccccc4O)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1
InChIInChI=1S/C33H28N4O2/c1-36(2)26-19-17-25(18-20-26)33-35-34-31(39-33)22-37-29(27-15-9-10-16-30(27)38)21-28(23-11-5-3-6-12-23)32(37)24-13-7-4-8-14-24/h3-21,38H,22H2,1-2H3
InChIKeyARBJNANGZIFYSG-UHFFFAOYSA-N
XLogP7.36
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol?
The IUPAC name of 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol (CID 53320816) is 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol.
What is the SMILES notation for 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol?
The canonical SMILES for 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol is CN(C)c1ccc(-c2nnc(Cn3c(-c4ccccc4O)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol?
The InChIKey is ARBJNANGZIFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O2/c1-36(2)26-19-17-25(18-20-26)33-35-34-31(39-33)22-37-29(27-15-9-10-16-30(27)38)21-28(23-11-5-3-6-12-23)32(37)24-13-7-4-8-14-24/h3-21,38H,22H2,1-2H3.
What are the key properties of 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol?
2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol has a molecular weight of 512.61 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol is sourced from PubChem (CID 53320816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).