N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C14H17FN4O — CID 79718814

IUPACN-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C14H17FN4O/c1-2-16-11-5-3-4-10(11)14-18-13(19-20-14)12-7-6-9(15)8-17-12/h6-8,10-11,16H,2-5H2,1H3
InChIKeyQDGKHNCLXVCRSN-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.52
Rot. Bonds4

About N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 79718814) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID79718814
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C14H17FN4O/c1-2-16-11-5-3-4-10(11)14-18-13(19-20-14)12-7-6-9(15)8-17-12/h6-8,10-11,16H,2-5H2,1H3
InChIKeyQDGKHNCLXVCRSN-UHFFFAOYSA-N
XLogP2.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 79718814) is N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CCNC1CCCC1c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is QDGKHNCLXVCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-16-11-5-3-4-10(11)14-18-13(19-20-14)12-7-6-9(15)8-17-12/h6-8,10-11,16H,2-5H2,1H3.
What are the key properties of N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 276.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 79718814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).