[1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C13H15ClN4O — CID 103442646

IUPAC[1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(-c3ncccc3Cl)no2)CCCC1
InChIInChI=1S/C13H15ClN4O/c14-9-4-3-7-16-10(9)11-17-12(19-18-11)13(8-15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2
InChIKeyDORZDHWUJYMXAG-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.56
Rot. Bonds3

About [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

[1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 103442646) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID103442646
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(-c3ncccc3Cl)no2)CCCC1
InChIInChI=1S/C13H15ClN4O/c14-9-4-3-7-16-10(9)11-17-12(19-18-11)13(8-15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2
InChIKeyDORZDHWUJYMXAG-UHFFFAOYSA-N
XLogP2.56
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 103442646) is [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1(c2nc(-c3ncccc3Cl)no2)CCCC1.
What is the InChIKey of [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is DORZDHWUJYMXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-9-4-3-7-16-10(9)11-17-12(19-18-11)13(8-15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2.
What are the key properties of [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 278.74 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 103442646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).