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

C15H25N3O3 — CID 116743116

IUPAC2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCOC1(c2noc(CC3CNCCO3)n2)CCCCCC1
InChIInChI=1S/C15H25N3O3/c1-19-15(6-4-2-3-5-7-15)14-17-13(21-18-14)10-12-11-16-8-9-20-12/h12,16H,2-11H2,1H3
InChIKeyCQDKUKBQNPAMFL-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.80
Rot. Bonds4

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

2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 116743116) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID116743116
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCOC1(c2noc(CC3CNCCO3)n2)CCCCCC1
InChIInChI=1S/C15H25N3O3/c1-19-15(6-4-2-3-5-7-15)14-17-13(21-18-14)10-12-11-16-8-9-20-12/h12,16H,2-11H2,1H3
InChIKeyCQDKUKBQNPAMFL-UHFFFAOYSA-N
XLogP1.80
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104609675
3-(1-methoxycyclopentyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 104609699
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
5-(azetidin-3-ylmethyl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742421
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 116741349
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742701
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 116780703

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 116743116) is 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is COC1(c2noc(CC3CNCCO3)n2)CCCCCC1.
What is the InChIKey of 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is CQDKUKBQNPAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-19-15(6-4-2-3-5-7-15)14-17-13(21-18-14)10-12-11-16-8-9-20-12/h12,16H,2-11H2,1H3.
What are the key properties of 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 295.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 116743116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).