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

C15H20N4O — CID 63348137

IUPACN-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(Cc2ccccn2)no1
InChIInChI=1S/C15H20N4O/c1-2-16-13-8-5-7-12(13)15-18-14(19-20-15)10-11-6-3-4-9-17-11/h3-4,6,9,12-13,16H,2,5,7-8,10H2,1H3
InChIKeyPMRWGQBWBOFMKQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds5

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

N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 63348137) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID63348137
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(Cc2ccccn2)no1
InChIInChI=1S/C15H20N4O/c1-2-16-13-8-5-7-12(13)15-18-14(19-20-15)10-11-6-3-4-9-17-11/h3-4,6,9,12-13,16H,2,5,7-8,10H2,1H3
InChIKeyPMRWGQBWBOFMKQ-UHFFFAOYSA-N
XLogP2.30
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
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-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 63348137) is N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CCNC1CCCC1c1nc(Cc2ccccn2)no1.
What is the InChIKey of N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is PMRWGQBWBOFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-16-13-8-5-7-12(13)15-18-14(19-20-15)10-11-6-3-4-9-17-11/h3-4,6,9,12-13,16H,2,5,7-8,10H2,1H3.
What are the key properties of N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 63348137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).