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

C13H23N3O2 — CID 51077649

IUPAC2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCC(C)Cc1noc(CN2CC(C)OCC2C)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)5-12-14-13(18-15-12)7-16-6-11(4)17-8-10(16)3/h9-11H,5-8H2,1-4H3
InChIKeyGPDNNAYIFGMCRQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.88
Rot. Bonds4

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

2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 51077649) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID51077649
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCC(C)Cc1noc(CN2CC(C)OCC2C)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)5-12-14-13(18-15-12)7-16-6-11(4)17-8-10(16)3/h9-11H,5-8H2,1-4H3
InChIKeyGPDNNAYIFGMCRQ-UHFFFAOYSA-N
XLogP1.88
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 51077649) is 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is CC(C)Cc1noc(CN2CC(C)OCC2C)n1.
What is the InChIKey of 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is GPDNNAYIFGMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)5-12-14-13(18-15-12)7-16-6-11(4)17-8-10(16)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 253.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 51077649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).