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

C11H11N3O — CID 19013331

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1ccccc1-c1nc(C2CC2)no1
InChIInChI=1S/C11H11N3O/c12-9-4-2-1-3-8(9)11-13-10(14-15-11)7-5-6-7/h1-4,7H,5-6,12H2
InChIKeyVWZAQYCQCYQYNB-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.20
Rot. Bonds2

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

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 19013331) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID19013331
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1ccccc1-c1nc(C2CC2)no1
InChIInChI=1S/C11H11N3O/c12-9-4-2-1-3-8(9)11-13-10(14-15-11)7-5-6-7/h1-4,7H,5-6,12H2
InChIKeyVWZAQYCQCYQYNB-UHFFFAOYSA-N
XLogP2.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.20
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-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline (CID 19013331) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline is Nc1ccccc1-c1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is VWZAQYCQCYQYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-9-4-2-1-3-8(9)11-13-10(14-15-11)7-5-6-7/h1-4,7H,5-6,12H2.
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 201.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 19013331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).