5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione

C12H20N2O4 — CID 3029645

IUPAC5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2)10(15)14(11(16)18-12)5-3-4-13-6-8-17-9-7-13/h3-9H2,1-2H3
InChIKeyPBSAMMFYXYFQJC-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.47
Rot. Bonds4

About 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione (PubChem CID 3029645) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione
PubChem CID3029645
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2)10(15)14(11(16)18-12)5-3-4-13-6-8-17-9-7-13/h3-9H2,1-2H3
InChIKeyPBSAMMFYXYFQJC-UHFFFAOYSA-N
XLogP0.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Oxazolidinedione, 5,5-dimethyl-3-(morpholinomethyl)-
CID 201846
Tert-butyl 3-oxomorpholine-4-carboxylate
CID 15000282
tert-butyl (2S)-2-carbamoylmorpholine-4-carboxylate
CID 66577075
Tert-butyl (2R)-2-[[methoxy(methyl)amino]carbonyl]-4-morpholinecarboxylate
CID 59598472
4-(3-(2,4-Dioxo-3-oxazolidinyl)propyl)-4-methylmorpholinium iodide
CID 3029465
3-(3-(Dibutylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029635
3-(3-(Diethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029637
3-(3-(Dimethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029639
3-(3-(2,6-Dimethyl-4-morpholinyl)propyl)-2,4-oxazolidinedione
CID 3029644
4-(N-t-butoxycarbonyl-N-methyl-beta-alanyl)morpholine
CID 19753771
t-Butyl 2-[(diethylamino)carbonyl]morpholine-4-carboxylate
CID 23112247
Tert-butyl 2-(methoxy(methyl)carbamoyl)morpholine-4-carboxylate
CID 57449675

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione (CID 3029645) is 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CCCN2CCOCC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is PBSAMMFYXYFQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2)10(15)14(11(16)18-12)5-3-4-13-6-8-17-9-7-13/h3-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 256.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-morpholin-4-ylpropyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).