6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

C15H27N3O2 — CID 104609629

IUPAC6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCOC1(c2noc(C(C)CCCC(C)N)n2)CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(7-6-8-12(2)16)13-17-14(18-20-13)15(19-3)9-4-5-10-15/h11-12H,4-10,16H2,1-3H3
InChIKeyDBWUUVITRBRIMF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds7

About 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (PubChem CID 104609629) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.

Molecular Properties

Compound Name6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
PubChem CID104609629
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCOC1(c2noc(C(C)CCCC(C)N)n2)CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(7-6-8-12(2)16)13-17-14(18-20-13)15(19-3)9-4-5-10-15/h11-12H,4-10,16H2,1-3H3
InChIKeyDBWUUVITRBRIMF-UHFFFAOYSA-N
XLogP3.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526776
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909661
1-amino-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116701498
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116701306
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
CID 116701304
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The IUPAC name of 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (CID 104609629) is 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.
What is the SMILES notation for 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The canonical SMILES for 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is COC1(c2noc(C(C)CCCC(C)N)n2)CCCC1.
What is the InChIKey of 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The InChIKey is DBWUUVITRBRIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(7-6-8-12(2)16)13-17-14(18-20-13)15(19-3)9-4-5-10-15/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is sourced from PubChem (CID 104609629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).