3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C12H13N3O5 — CID 122274964

IUPAC3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1oncc1C(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C12H13N3O5/c1-7-9(2-13-20-7)11(17)14-3-8(4-14)5-15-10(16)6-19-12(15)18/h2,8H,3-6H2,1H3
InChIKeyLEOCOXPATLBHKY-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.03
Rot. Bonds3

About 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274964) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274964
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1oncc1C(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C12H13N3O5/c1-7-9(2-13-20-7)11(17)14-3-8(4-14)5-15-10(16)6-19-12(15)18/h2,8H,3-6H2,1H3
InChIKeyLEOCOXPATLBHKY-UHFFFAOYSA-N
XLogP0.03
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274964) is 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1oncc1C(=O)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LEOCOXPATLBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-7-9(2-13-20-7)11(17)14-3-8(4-14)5-15-10(16)6-19-12(15)18/h2,8H,3-6H2,1H3.
What are the key properties of 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 279.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).