2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline

C15H13FN4O — CID 82732102

IUPAC2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
SMILESCCc1cccnc1-c1noc(-c2ccc(F)cc2N)n1
InChIInChI=1S/C15H13FN4O/c1-2-9-4-3-7-18-13(9)14-19-15(21-20-14)11-6-5-10(16)8-12(11)17/h3-8H,2,17H2,1H3
InChIKeyPDOJODFQRGLIQN-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.08
Rot. Bonds3

About 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline

2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline (PubChem CID 82732102) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline.

Molecular Properties

Compound Name2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
PubChem CID82732102
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
SMILESCCc1cccnc1-c1noc(-c2ccc(F)cc2N)n1
InChIInChI=1S/C15H13FN4O/c1-2-9-4-3-7-18-13(9)14-19-15(21-20-14)11-6-5-10(16)8-12(11)17/h3-8H,2,17H2,1H3
InChIKeyPDOJODFQRGLIQN-UHFFFAOYSA-N
XLogP3.08
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline?
The IUPAC name of 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline (CID 82732102) is 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline.
What is the SMILES notation for 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline?
The canonical SMILES for 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline is CCc1cccnc1-c1noc(-c2ccc(F)cc2N)n1.
What is the InChIKey of 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline?
The InChIKey is PDOJODFQRGLIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-2-9-4-3-7-18-13(9)14-19-15(21-20-14)11-6-5-10(16)8-12(11)17/h3-8H,2,17H2,1H3.
What are the key properties of 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline?
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline has a molecular weight of 284.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline is sourced from PubChem (CID 82732102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).