5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C13H23N3O2 — CID 104609736

IUPAC5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCOC1(c2noc(CCCCCN)n2)CCCC1
InChIInChI=1S/C13H23N3O2/c1-17-13(8-4-5-9-13)12-15-11(18-16-12)7-3-2-6-10-14/h2-10,14H2,1H3
InChIKeyJGCDFTDZVYXIPR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.16
Rot. Bonds7

About 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104609736) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104609736
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCOC1(c2noc(CCCCCN)n2)CCCC1
InChIInChI=1S/C13H23N3O2/c1-17-13(8-4-5-9-13)12-15-11(18-16-12)7-3-2-6-10-14/h2-10,14H2,1H3
InChIKeyJGCDFTDZVYXIPR-UHFFFAOYSA-N
XLogP2.16
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104609736) is 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is COC1(c2noc(CCCCCN)n2)CCCC1.
What is the InChIKey of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is JGCDFTDZVYXIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-17-13(8-4-5-9-13)12-15-11(18-16-12)7-3-2-6-10-14/h2-10,14H2,1H3.
What are the key properties of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104609736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).