1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione

C11H14N2O4 — CID 122400558

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCc1noc(C)c1C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O4/c1-7-9(8(2)17-12-7)10(14)11(15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyUQHLVWXRZGFLFP-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.33
Rot. Bonds2

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione

1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 122400558) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID122400558
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCc1noc(C)c1C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O4/c1-7-9(8(2)17-12-7)10(14)11(15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyUQHLVWXRZGFLFP-UHFFFAOYSA-N
XLogP0.33
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione (CID 122400558) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione is Cc1noc(C)c1C(=O)C(=O)N1CCOCC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is UQHLVWXRZGFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-9(8(2)17-12-7)10(14)11(15)13-3-5-16-6-4-13/h3-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 238.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 122400558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).