[5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol

C13H23N3O3 — CID 114286892

IUPAC[5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol
SMILESCC(C)Cc1noc(CN2CC(CO)OCC2C)n1
InChIInChI=1S/C13H23N3O3/c1-9(2)4-12-14-13(19-15-12)6-16-5-11(7-17)18-8-10(16)3/h9-11,17H,4-8H2,1-3H3
InChIKeyPWOFDPXFWPBEOO-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.85
Rot. Bonds5

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

[5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol (PubChem CID 114286892) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol
PubChem CID114286892
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name[5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol
SMILESCC(C)Cc1noc(CN2CC(CO)OCC2C)n1
InChIInChI=1S/C13H23N3O3/c1-9(2)4-12-14-13(19-15-12)6-16-5-11(7-17)18-8-10(16)3/h9-11,17H,4-8H2,1-3H3
InChIKeyPWOFDPXFWPBEOO-UHFFFAOYSA-N
XLogP0.85
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol (CID 114286892) is [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol is CC(C)Cc1noc(CN2CC(CO)OCC2C)n1.
What is the InChIKey of [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol?
The InChIKey is PWOFDPXFWPBEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)4-12-14-13(19-15-12)6-16-5-11(7-17)18-8-10(16)3/h9-11,17H,4-8H2,1-3H3.
What are the key properties of [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol?
[5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol has a molecular weight of 269.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114286892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).