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

C14H25N3O2 — CID 116741461

IUPAC1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(C2(OCC)CCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-3-5-8-11(15)12-16-13(17-19-12)14(18-4-2)9-6-7-10-14/h11H,3-10,15H2,1-2H3
InChIKeyFJQJHXHEADQDCX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.07
Rot. Bonds7

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

1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 116741461) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID116741461
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(C2(OCC)CCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-3-5-8-11(15)12-16-13(17-19-12)14(18-4-2)9-6-7-10-14/h11H,3-10,15H2,1-2H3
InChIKeyFJQJHXHEADQDCX-UHFFFAOYSA-N
XLogP3.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 116741461) is 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCCC(N)c1nc(C2(OCC)CCCC2)no1.
What is the InChIKey of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is FJQJHXHEADQDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-5-8-11(15)12-16-13(17-19-12)14(18-4-2)9-6-7-10-14/h11H,3-10,15H2,1-2H3.
What are the key properties of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 116741461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).