3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline

C16H15N3O2 — CID 43525273

IUPAC3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
SMILESCOc1cccc(Cc2nc(-c3cccc(N)c3)no2)c1
InChIInChI=1S/C16H15N3O2/c1-20-14-7-2-4-11(8-14)9-15-18-16(19-21-15)12-5-3-6-13(17)10-12/h2-8,10H,9,17H2,1H3
InChIKeyJUBSIMUVGFDDAC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.92
Rot. Bonds4

About 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline

3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 43525273) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
PubChem CID43525273
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
SMILESCOc1cccc(Cc2nc(-c3cccc(N)c3)no2)c1
InChIInChI=1S/C16H15N3O2/c1-20-14-7-2-4-11(8-14)9-15-18-16(19-21-15)12-5-3-6-13(17)10-12/h2-8,10H,9,17H2,1H3
InChIKeyJUBSIMUVGFDDAC-UHFFFAOYSA-N
XLogP2.92
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline 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

3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 62387381
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345469
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525276
N-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823172
5-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-methoxyaniline
CID 100559808
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075377
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline (CID 43525273) is 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline is COc1cccc(Cc2nc(-c3cccc(N)c3)no2)c1.
What is the InChIKey of 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is JUBSIMUVGFDDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-7-2-4-11(8-14)9-15-18-16(19-21-15)12-5-3-6-13(17)10-12/h2-8,10H,9,17H2,1H3.
What are the key properties of 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 43525273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).