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

C16H21N3O — CID 60837266

IUPACN-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C16H21N3O/c1-3-7-13(8-4-1)16-18-15(20-19-16)11-12-17-14-9-5-2-6-10-14/h2,5-6,9-10,13,17H,1,3-4,7-8,11-12H2
InChIKeyWUDQVZFTRCADEI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.77
Rot. Bonds5

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

N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (PubChem CID 60837266) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
PubChem CID60837266
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C16H21N3O/c1-3-7-13(8-4-1)16-18-15(20-19-16)11-12-17-14-9-5-2-6-10-14/h2,5-6,9-10,13,17H,1,3-4,7-8,11-12H2
InChIKeyWUDQVZFTRCADEI-UHFFFAOYSA-N
XLogP3.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 64981815
2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 122135295
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 103594674
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65401412
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The IUPAC name of N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (CID 60837266) is N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The canonical SMILES for N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is c1ccc(NCCc2nc(C3CCCCC3)no2)cc1.
What is the InChIKey of N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The InChIKey is WUDQVZFTRCADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-7-13(8-4-1)16-18-15(20-19-16)11-12-17-14-9-5-2-6-10-14/h2,5-6,9-10,13,17H,1,3-4,7-8,11-12H2.
What are the key properties of N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 60837266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).