4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline

C21H17N3O2 — CID 155374553

IUPAC4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
SMILESCOc1ccc(-c2nc(-c3ccc(Nc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C21H17N3O2/c1-25-19-13-9-16(10-14-19)21-23-20(24-26-21)15-7-11-18(12-8-15)22-17-5-3-2-4-6-17/h2-14,22H,1H3
InChIKeyWWEYSCYQKZDDIM-UHFFFAOYSA-N
MW343.39 g/mol
LogP5.16
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline

4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline (PubChem CID 155374553) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
PubChem CID155374553
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
SMILESCOc1ccc(-c2nc(-c3ccc(Nc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C21H17N3O2/c1-25-19-13-9-16(10-14-19)21-23-20(24-26-21)15-7-11-18(12-8-15)22-17-5-3-2-4-6-17/h2-14,22H,1H3
InChIKeyWWEYSCYQKZDDIM-UHFFFAOYSA-N
XLogP5.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline (CID 155374553) is 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline is COc1ccc(-c2nc(-c3ccc(Nc4ccccc4)cc3)no2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline?
The InChIKey is WWEYSCYQKZDDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-25-19-13-9-16(10-14-19)21-23-20(24-26-21)15-7-11-18(12-8-15)22-17-5-3-2-4-6-17/h2-14,22H,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline?
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline has a molecular weight of 343.39 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline is sourced from PubChem (CID 155374553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).