3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine

C12H21N3O2 — CID 75484012

IUPAC3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine
SMILESCCCN1CCOCC1c1noc(C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-4-5-15-6-7-16-8-10(15)11-13-12(9(2)3)17-14-11/h9-10H,4-8H2,1-3H3
InChIKeyRHERBLHSIMSKAY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.98
Rot. Bonds4

About 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine

3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine (PubChem CID 75484012) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine
PubChem CID75484012
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine
SMILESCCCN1CCOCC1c1noc(C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-4-5-15-6-7-16-8-10(15)11-13-12(9(2)3)17-14-11/h9-10H,4-8H2,1-3H3
InChIKeyRHERBLHSIMSKAY-UHFFFAOYSA-N
XLogP1.98
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine?
The IUPAC name of 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine (CID 75484012) is 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine.
What is the SMILES notation for 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine?
The canonical SMILES for 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine is CCCN1CCOCC1c1noc(C(C)C)n1.
What is the InChIKey of 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine?
The InChIKey is RHERBLHSIMSKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-15-6-7-16-8-10(15)11-13-12(9(2)3)17-14-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine?
3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine has a molecular weight of 239.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-propylmorpholine is sourced from PubChem (CID 75484012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).