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

C15H19N3O — CID 82483093

IUPAC2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESNc1ccccc1CCc1nnc(C2CCCC2)o1
InChIInChI=1S/C15H19N3O/c16-13-8-4-3-5-11(13)9-10-14-17-18-15(19-14)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9-10,16H2
InChIKeyKNIFBLALAUMAQV-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.09
Rot. Bonds4

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

2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (PubChem CID 82483093) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
PubChem CID82483093
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESNc1ccccc1CCc1nnc(C2CCCC2)o1
InChIInChI=1S/C15H19N3O/c16-13-8-4-3-5-11(13)9-10-14-17-18-15(19-14)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9-10,16H2
InChIKeyKNIFBLALAUMAQV-UHFFFAOYSA-N
XLogP3.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 82471262
2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 62075542
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 43513428
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
1-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84666403
2-[2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273796
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
2-(cyclopentylmethyl)aniline
CID 15634615
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 26332890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (CID 82483093) is 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is Nc1ccccc1CCc1nnc(C2CCCC2)o1.
What is the InChIKey of 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The InChIKey is KNIFBLALAUMAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13-8-4-3-5-11(13)9-10-14-17-18-15(19-14)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9-10,16H2.
What are the key properties of 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline has a molecular weight of 257.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82483093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).