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

C12H19N3O3 — CID 66435007

IUPAC2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESC1COC(Cc2nc(C3CCOCC3)no2)CN1
InChIInChI=1S/C12H19N3O3/c1-4-16-5-2-9(1)12-14-11(18-15-12)7-10-8-13-3-6-17-10/h9-10,13H,1-8H2
InChIKeyHSESLRFBUXPOTR-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.49
Rot. Bonds3

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

2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 66435007) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID66435007
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESC1COC(Cc2nc(C3CCOCC3)no2)CN1
InChIInChI=1S/C12H19N3O3/c1-4-16-5-2-9(1)12-14-11(18-15-12)7-10-8-13-3-6-17-10/h9-10,13H,1-8H2
InChIKeyHSESLRFBUXPOTR-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435398
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434808
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 80620260
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 126802196
3-(oxolan-3-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842315
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 79405738
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 66435007) is 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is C1COC(Cc2nc(C3CCOCC3)no2)CN1.
What is the InChIKey of 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is HSESLRFBUXPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-16-5-2-9(1)12-14-11(18-15-12)7-10-8-13-3-6-17-10/h9-10,13H,1-8H2.
What are the key properties of 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 253.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 66435007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).