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

C12H19N3O3 — CID 80690383

IUPAC3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCC1(c2noc(C3COCCN3)n2)CCCCO1
InChIInChI=1S/C12H19N3O3/c1-12(4-2-3-6-17-12)11-14-10(18-15-11)9-8-16-7-5-13-9/h9,13H,2-8H2,1H3
InChIKeyKRPMPJSORMZAPL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.15
Rot. Bonds2

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

3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 80690383) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID80690383
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCC1(c2noc(C3COCCN3)n2)CCCCO1
InChIInChI=1S/C12H19N3O3/c1-12(4-2-3-6-17-12)11-14-10(18-15-11)9-8-16-7-5-13-9/h9,13H,2-8H2,1H3
InChIKeyKRPMPJSORMZAPL-UHFFFAOYSA-N
XLogP1.15
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine (CID 80690383) is 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine is CC1(c2noc(C3COCCN3)n2)CCCCO1.
What is the InChIKey of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is KRPMPJSORMZAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(4-2-3-6-17-12)11-14-10(18-15-11)9-8-16-7-5-13-9/h9,13H,2-8H2,1H3.
What are the key properties of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 253.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 80690383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).