2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole

C32H25N3O2 — CID 53326875

IUPAC2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Cn3c(-c4ccccc4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1
InChIInChI=1S/C32H25N3O2/c1-36-27-19-17-26(18-20-27)32-34-33-30(37-32)22-35-29(24-13-7-3-8-14-24)21-28(23-11-5-2-6-12-23)31(35)25-15-9-4-10-16-25/h2-21H,22H2,1H3
InChIKeyIJLBKXLHXYGFSM-UHFFFAOYSA-N
MW483.57 g/mol
LogP7.60
Rot. Bonds7

About 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 53326875) has the molecular formula C32H25N3O2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID53326875
Molecular FormulaC32H25N3O2
Molecular Weight483.57 g/mol
Exact Mass483.19
IUPAC Name2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Cn3c(-c4ccccc4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1
InChIInChI=1S/C32H25N3O2/c1-36-27-19-17-26(18-20-27)32-34-33-30(37-32)22-35-29(24-13-7-3-8-14-24)21-28(23-11-5-2-6-12-23)31(35)25-15-9-4-10-16-25/h2-21H,22H2,1H3
InChIKeyIJLBKXLHXYGFSM-UHFFFAOYSA-N
XLogP7.60
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]-N,N-dimethylaniline
CID 53316858
2-(4-Methoxyphenyl)-5-[[5-(4-methoxyphenyl)-2,3-diphenylpyrrol-1-yl]methyl]-1,3,4-oxadiazole
CID 53316859
2-Methoxy-4-[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol
CID 53323283
4-[5-[[5-[4-(Dimethylamino)phenyl]-2,3-diphenylpyrrol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol
CID 136192893
2-[1-[[5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4,5-diphenylpyrrol-2-yl]phenol
CID 53320816
2-(4-Methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 72947283
N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 90671394
N-[(4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 90671399
2-(4,5-Dibromo-1-methylpyrrol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 171342093
1-(4-methoxyphenyl)-2-(2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)ethanone
CID 16820283
N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 38030893
1-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole
CID 3773533

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole (CID 53326875) is 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(Cn3c(-c4ccccc4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is IJLBKXLHXYGFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O2/c1-36-27-19-17-26(18-20-27)32-34-33-30(37-32)22-35-29(24-13-7-3-8-14-24)21-28(23-11-5-2-6-12-23)31(35)25-15-9-4-10-16-25/h2-21H,22H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 483.57 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(2,3,5-triphenylpyrrol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53326875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).