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

C16H21N3O2 — CID 116742709

IUPAC3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC1(c2noc(-c3cccc(N)c3)n2)CCCC(C)C1
InChIInChI=1S/C16H21N3O2/c1-11-5-4-8-16(10-11,20-2)15-18-14(21-19-15)12-6-3-7-13(17)9-12/h3,6-7,9,11H,4-5,8,10,17H2,1-2H3
InChIKeyRNRIZYBGKQCJIN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.37
Rot. Bonds3

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

3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 116742709) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID116742709
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC1(c2noc(-c3cccc(N)c3)n2)CCCC(C)C1
InChIInChI=1S/C16H21N3O2/c1-11-5-4-8-16(10-11,20-2)15-18-14(21-19-15)12-6-3-7-13(17)9-12/h3,6-7,9,11H,4-5,8,10,17H2,1-2H3
InChIKeyRNRIZYBGKQCJIN-UHFFFAOYSA-N
XLogP3.37
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-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

2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 137017801
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
5-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136771040
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771039
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780818
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899713
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (CID 116742709) is 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is COC1(c2noc(-c3cccc(N)c3)n2)CCCC(C)C1.
What is the InChIKey of 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is RNRIZYBGKQCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-5-4-8-16(10-11,20-2)15-18-14(21-19-15)12-6-3-7-13(17)9-12/h3,6-7,9,11H,4-5,8,10,17H2,1-2H3.
What are the key properties of 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 287.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 116742709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).