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

C12H21N3O2 — CID 94022520

IUPAC(3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCC(C)Cc1noc(CN2CCOC[C@H]2C)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-11-13-12(17-14-11)7-15-4-5-16-8-10(15)3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyZGXWDECGIBJAPL-SNVBAGLBSA-N
MW239.32 g/mol
LogP1.49
Rot. Bonds4

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

(3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 94022520) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID94022520
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCC(C)Cc1noc(CN2CCOC[C@H]2C)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-11-13-12(17-14-11)7-15-4-5-16-8-10(15)3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyZGXWDECGIBJAPL-SNVBAGLBSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 94022520) is (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is CC(C)Cc1noc(CN2CCOC[C@H]2C)n1.
What is the InChIKey of (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is ZGXWDECGIBJAPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)6-11-13-12(17-14-11)7-15-4-5-16-8-10(15)3/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
(3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 239.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 94022520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).