5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine

C11H12ClFN4O — CID 50951682

IUPAC5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine
SMILESCCc1noc(CCNc2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H12ClFN4O/c1-2-9-16-10(18-17-9)3-4-14-11-8(13)5-7(12)6-15-11/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySFWHQZNKDBWBOK-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.47
Rot. Bonds5

About 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine

5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine (PubChem CID 50951682) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine
PubChem CID50951682
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine
SMILESCCc1noc(CCNc2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H12ClFN4O/c1-2-9-16-10(18-17-9)3-4-14-11-8(13)5-7(12)6-15-11/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySFWHQZNKDBWBOK-UHFFFAOYSA-N
XLogP2.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine (CID 50951682) is 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine is CCc1noc(CCNc2ncc(Cl)cc2F)n1.
What is the InChIKey of 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine?
The InChIKey is SFWHQZNKDBWBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c1-2-9-16-10(18-17-9)3-4-14-11-8(13)5-7(12)6-15-11/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine?
5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine has a molecular weight of 270.69 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 50951682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).