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

C13H15N3O — CID 62075542

IUPAC2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccccc1-c1nnc(C2CCCC2)o1
InChIInChI=1S/C13H15N3O/c14-11-8-4-3-7-10(11)13-16-15-12(17-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,14H2
InChIKeyUUXIREVJVMDNOC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.98
Rot. Bonds2

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

2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 62075542) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID62075542
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccccc1-c1nnc(C2CCCC2)o1
InChIInChI=1S/C13H15N3O/c14-11-8-4-3-7-10(11)13-16-15-12(17-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,14H2
InChIKeyUUXIREVJVMDNOC-UHFFFAOYSA-N
XLogP2.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline (CID 62075542) is 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline is Nc1ccccc1-c1nnc(C2CCCC2)o1.
What is the InChIKey of 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is UUXIREVJVMDNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-11-8-4-3-7-10(11)13-16-15-12(17-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,14H2.
What are the key properties of 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 229.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 62075542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).