2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

C12H15N3O5 — CID 72846014

IUPAC2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C12H15N3O5/c1-12(2)10(17)15(11(18)20-12)7-9(16)14(3)6-8-4-5-19-13-8/h4-5H,6-7H2,1-3H3
InChIKeyYGOSWDKMTAEKCD-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.39
Rot. Bonds4

About 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 72846014) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID72846014
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C12H15N3O5/c1-12(2)10(17)15(11(18)20-12)7-9(16)14(3)6-8-4-5-19-13-8/h4-5H,6-7H2,1-3H3
InChIKeyYGOSWDKMTAEKCD-UHFFFAOYSA-N
XLogP0.39
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 72846014) is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is CN(Cc1ccon1)C(=O)CN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is YGOSWDKMTAEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-12(2)10(17)15(11(18)20-12)7-9(16)14(3)6-8-4-5-19-13-8/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 281.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 72846014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).