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

C16H15N3O2 — CID 43525276

IUPAC3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1cccc(-c2noc(CCOc3ccccc3)n2)c1
InChIInChI=1S/C16H15N3O2/c17-13-6-4-5-12(11-13)16-18-15(21-19-16)9-10-20-14-7-2-1-3-8-14/h1-8,11H,9-10,17H2
InChIKeyXCUALHUYEQYYMW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.94
Rot. Bonds5

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

3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 43525276) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID43525276
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1cccc(-c2noc(CCOc3ccccc3)n2)c1
InChIInChI=1S/C16H15N3O2/c17-13-6-4-5-12(11-13)16-18-15(21-19-16)9-10-20-14-7-2-1-3-8-14/h1-8,11H,9-10,17H2
InChIKeyXCUALHUYEQYYMW-UHFFFAOYSA-N
XLogP2.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-(2-phenoxyethyl)-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-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201009
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525273
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
CID 2995458
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propoxy]aniline
CID 61036000
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 62387381
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379365

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline (CID 43525276) is 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline is Nc1cccc(-c2noc(CCOc3ccccc3)n2)c1.
What is the InChIKey of 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is XCUALHUYEQYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-13-6-4-5-12(11-13)16-18-15(21-19-16)9-10-20-14-7-2-1-3-8-14/h1-8,11H,9-10,17H2.
What are the key properties of 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline?
3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 43525276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).