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

C11H10FN3O — CID 62076503

IUPAC2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C11H10FN3O/c12-7-3-4-9(13)8(5-7)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyXYWLUZWSSGXSOX-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.34
Rot. Bonds2

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

2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline (PubChem CID 62076503) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline
PubChem CID62076503
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C11H10FN3O/c12-7-3-4-9(13)8(5-7)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyXYWLUZWSSGXSOX-UHFFFAOYSA-N
XLogP2.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.34
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-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline?
The IUPAC name of 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline (CID 62076503) is 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline.
What is the SMILES notation for 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline?
The canonical SMILES for 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline is Nc1ccc(F)cc1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline?
The InChIKey is XYWLUZWSSGXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-7-3-4-9(13)8(5-7)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2,13H2.
What are the key properties of 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline?
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline has a molecular weight of 219.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline is sourced from PubChem (CID 62076503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).