3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C18H21N3O5 — CID 122274988

IUPAC3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C18H21N3O5/c22-16-12-26-18(24)21(16)11-13-9-20(10-13)17(23)14-1-3-15(4-2-14)19-5-7-25-8-6-19/h1-4,13H,5-12H2
InChIKeyHGSINRAEEFHQPC-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.57
Rot. Bonds4

About 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274988) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274988
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C18H21N3O5/c22-16-12-26-18(24)21(16)11-13-9-20(10-13)17(23)14-1-3-15(4-2-14)19-5-7-25-8-6-19/h1-4,13H,5-12H2
InChIKeyHGSINRAEEFHQPC-UHFFFAOYSA-N
XLogP0.57
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274988) is 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(c1ccc(N2CCOCC2)cc1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HGSINRAEEFHQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-16-12-26-18(24)21(16)11-13-9-20(10-13)17(23)14-1-3-15(4-2-14)19-5-7-25-8-6-19/h1-4,13H,5-12H2.
What are the key properties of 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 359.38 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).