1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

C12H19N3O4 — CID 81219880

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1noc(CCC(=O)N2CC(CO)OCC2C)n1
InChIInChI=1S/C12H19N3O4/c1-8-7-18-10(6-16)5-15(8)12(17)4-3-11-13-9(2)14-19-11/h8,10,16H,3-7H2,1-2H3
InChIKeyOTMMUDXPMLPCRH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.08
Rot. Bonds4

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 81219880) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID81219880
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1noc(CCC(=O)N2CC(CO)OCC2C)n1
InChIInChI=1S/C12H19N3O4/c1-8-7-18-10(6-16)5-15(8)12(17)4-3-11-13-9(2)14-19-11/h8,10,16H,3-7H2,1-2H3
InChIKeyOTMMUDXPMLPCRH-UHFFFAOYSA-N
XLogP-0.08
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-Hydroxypiperidin-1-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43417268
1-(4-Hydroxypiperidin-1-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43417274
1-[2-(Hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43421076
1-(3-Hydroxypiperidin-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43427859
1-(4-Hydroxypiperidin-1-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43427862
1-[2-(Hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43429256
N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide
CID 43572942
N-(2-hydroxyethyl)-N-propan-2-yl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43573308
1-(3-Methylmorpholin-4-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 45816309
3-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 45817196
1-(3-Ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 47736883
3-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 48690087

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 81219880) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one is Cc1noc(CCC(=O)N2CC(CO)OCC2C)n1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is OTMMUDXPMLPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8-7-18-10(6-16)5-15(8)12(17)4-3-11-13-9(2)14-19-11/h8,10,16H,3-7H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 269.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 81219880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).