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

C12H19N3O3 — CID 94111474

IUPAC1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1noc(CCCC(=O)N2CCOC[C@@H]2C)n1
InChIInChI=1S/C12H19N3O3/c1-9-8-17-7-6-15(9)12(16)5-3-4-11-13-10(2)14-18-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyDIXWNPMCGAMEDA-VIFPVBQESA-N
MW253.30 g/mol
LogP0.95
Rot. Bonds4

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

1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 94111474) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID94111474
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1noc(CCCC(=O)N2CCOC[C@@H]2C)n1
InChIInChI=1S/C12H19N3O3/c1-9-8-17-7-6-15(9)12(16)5-3-4-11-13-10(2)14-18-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyDIXWNPMCGAMEDA-VIFPVBQESA-N
XLogP0.95
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-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

4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95978540
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
1-(3-hydroxyazetidin-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71853002
4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]morpholine-3-carboxylic acid
CID 119216378
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
CID 94112164
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 81219880
1-(4-acetyl-1,4-diazepan-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71895509
6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
CID 106774401
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-[(3S)-3-ethylmorpholin-4-yl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 70768575

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 94111474) is 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one is Cc1noc(CCCC(=O)N2CCOC[C@@H]2C)n1.
What is the InChIKey of 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is DIXWNPMCGAMEDA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-8-17-7-6-15(9)12(16)5-3-4-11-13-10(2)14-18-11/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 253.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 94111474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).