4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one

C15H17N3O4 — CID 49152872

IUPAC4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESCC1CN(C(=O)Cn2c(-c3ccccc3)noc2=O)CCO1
InChIInChI=1S/C15H17N3O4/c1-11-9-17(7-8-21-11)13(19)10-18-14(16-22-15(18)20)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeySGEDMIRLQICYBN-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.75
Rot. Bonds3

About 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one

4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 49152872) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID49152872
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESCC1CN(C(=O)Cn2c(-c3ccccc3)noc2=O)CCO1
InChIInChI=1S/C15H17N3O4/c1-11-9-17(7-8-21-11)13(19)10-18-14(16-22-15(18)20)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeySGEDMIRLQICYBN-UHFFFAOYSA-N
XLogP0.75
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

4-[2-hydroxy-3-(2-methylmorpholin-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111104453
4-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 94799599
1-(2-methylmorpholin-4-yl)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 110631368
1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 95166143
4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 95149826
4-[[(3S)-oxolan-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 97210991
4-(oxolan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 75368885
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18131445
(5S)-5-(2-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95151894
1-[(2R)-2-methylmorpholin-4-yl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94571896
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one (CID 49152872) is 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one is CC1CN(C(=O)Cn2c(-c3ccccc3)noc2=O)CCO1.
What is the InChIKey of 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is SGEDMIRLQICYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-11-9-17(7-8-21-11)13(19)10-18-14(16-22-15(18)20)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one?
4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 303.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 49152872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).