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

C15H19N3O2 — CID 30029423

IUPAC3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc(C3CCCCC3)no2)c1
InChIInChI=1S/C15H19N3O2/c16-12-7-4-8-13(9-12)19-10-14-17-15(18-20-14)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10,16H2
InChIKeyOKMWKWDZBPTCSA-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.28
Rot. Bonds4

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

3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline (PubChem CID 30029423) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
PubChem CID30029423
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc(C3CCCCC3)no2)c1
InChIInChI=1S/C15H19N3O2/c16-12-7-4-8-13(9-12)19-10-14-17-15(18-20-14)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10,16H2
InChIKeyOKMWKWDZBPTCSA-UHFFFAOYSA-N
XLogP3.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The IUPAC name of 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline (CID 30029423) is 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline.
What is the SMILES notation for 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The canonical SMILES for 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline is Nc1cccc(OCc2nc(C3CCCCC3)no2)c1.
What is the InChIKey of 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The InChIKey is OKMWKWDZBPTCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-7-4-8-13(9-12)19-10-14-17-15(18-20-14)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10,16H2.
What are the key properties of 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline has a molecular weight of 273.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline is sourced from PubChem (CID 30029423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).