2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide

C15H22N4O4 — CID 72843385

IUPAC2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C15H22N4O4/c1-5-7-18(9-11-16-6-8-17(11)4)12(20)10-19-13(21)15(2,3)23-14(19)22/h6,8H,5,7,9-10H2,1-4H3
InChIKeyXQTSUFZSJLFGRD-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.92
Rot. Bonds6

About 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide

2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide (PubChem CID 72843385) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
PubChem CID72843385
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C15H22N4O4/c1-5-7-18(9-11-16-6-8-17(11)4)12(20)10-19-13(21)15(2,3)23-14(19)22/h6,8H,5,7,9-10H2,1-4H3
InChIKeyXQTSUFZSJLFGRD-UHFFFAOYSA-N
XLogP0.92
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126425206
N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
CID 95727042
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
CID 72902277
(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95868561
1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
CID 118788930
3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 122564217
6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide
CID 170503707
N-(2-hydroxyethyl)-6,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 74243112
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72876987
(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride
CID 155941008

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide (CID 72843385) is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide is CCCN(Cc1nccn1C)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-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
The InChIKey is XQTSUFZSJLFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-5-7-18(9-11-16-6-8-17(11)4)12(20)10-19-13(21)15(2,3)23-14(19)22/h6,8H,5,7,9-10H2,1-4H3.
What are the key properties of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide has a molecular weight of 322.37 g/mol, XLogP of 0.92, 6 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-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide is sourced from PubChem (CID 72843385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).