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

C12H19N3O3 — CID 104609675

IUPAC2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCOC1(c2noc(C3CNCCO3)n2)CCCC1
InChIInChI=1S/C12H19N3O3/c1-16-12(4-2-3-5-12)11-14-10(18-15-11)9-8-13-6-7-17-9/h9,13H,2-8H2,1H3
InChIKeyGUMOOMSYFKKEII-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.15
Rot. Bonds3

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

2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 104609675) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID104609675
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCOC1(c2noc(C3CNCCO3)n2)CCCC1
InChIInChI=1S/C12H19N3O3/c1-16-12(4-2-3-5-12)11-14-10(18-15-11)9-8-13-6-7-17-9/h9,13H,2-8H2,1H3
InChIKeyGUMOOMSYFKKEII-UHFFFAOYSA-N
XLogP1.15
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 116743116
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 104609716
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 104612063
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
(3S,5S)-5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912581
3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116701466
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912536
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 104611970

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 104609675) is 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine is COC1(c2noc(C3CNCCO3)n2)CCCC1.
What is the InChIKey of 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is GUMOOMSYFKKEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-16-12(4-2-3-5-12)11-14-10(18-15-11)9-8-13-6-7-17-9/h9,13H,2-8H2,1H3.
What are the key properties of 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 253.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 104609675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).