3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C11H14N4O4 — CID 47117374

IUPAC3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2C(=O)CN(C)C2=O)no1
InChIInChI=1S/C11H14N4O4/c1-7-5-8(13-19-7)12-9(16)3-4-15-10(17)6-14(2)11(15)18/h5H,3-4,6H2,1-2H3,(H,12,13,16)
InChIKeyKREQONMZDWUMCI-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.21
Rot. Bonds4

About 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 47117374) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID47117374
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2C(=O)CN(C)C2=O)no1
InChIInChI=1S/C11H14N4O4/c1-7-5-8(13-19-7)12-9(16)3-4-15-10(17)6-14(2)11(15)18/h5H,3-4,6H2,1-2H3,(H,12,13,16)
InChIKeyKREQONMZDWUMCI-UHFFFAOYSA-N
XLogP0.21
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110686831
N-(5-methyl-1,2-oxazol-3-yl)-3-(tetrazol-1-yl)propanamide
CID 5301293
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 122134106
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 83063069
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 28526956
3-(4-hydroxy-3-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 114681223
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylpiperazin-1-yl)propanamide
CID 62672823
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 47117374) is 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN2C(=O)CN(C)C2=O)no1.
What is the InChIKey of 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is KREQONMZDWUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-7-5-8(13-19-7)12-9(16)3-4-15-10(17)6-14(2)11(15)18/h5H,3-4,6H2,1-2H3,(H,12,13,16).
What are the key properties of 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 266.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 47117374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).