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

C16H21N3O2 — CID 65389709

IUPAC3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc(C3CCCCCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c17-13-8-5-9-14(10-13)20-11-15-18-16(19-21-15)12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11,17H2
InChIKeyZTLQWVGOENKUEZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.67
Rot. Bonds4

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

3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline (PubChem CID 65389709) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
PubChem CID65389709
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc(C3CCCCCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c17-13-8-5-9-14(10-13)20-11-15-18-16(19-21-15)12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11,17H2
InChIKeyZTLQWVGOENKUEZ-UHFFFAOYSA-N
XLogP3.67
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]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-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 30029423
3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65415707
3-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 107925065
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095491
4-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65334904
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 82705989
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096386
5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60773437
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029378

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The IUPAC name of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline (CID 65389709) is 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline.
What is the SMILES notation for 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The canonical SMILES for 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline is Nc1cccc(OCc2nc(C3CCCCCC3)no2)c1.
What is the InChIKey of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The InChIKey is ZTLQWVGOENKUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-13-8-5-9-14(10-13)20-11-15-18-16(19-21-15)12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11,17H2.
What are the key properties of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline has a molecular weight of 287.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline is sourced from PubChem (CID 65389709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).