5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione

C15H23N3O3 — CID 155563511

IUPAC5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(CC(C)c2c(C)noc2C)C1=O
InChIInChI=1S/C15H23N3O3/c1-6-8(2)13-14(19)18(15(20)16-13)7-9(3)12-10(4)17-21-11(12)5/h8-9,13H,6-7H2,1-5H3,(H,16,20)
InChIKeyBTHYHCACRSHDSG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.36
Rot. Bonds5

About 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione

5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione (PubChem CID 155563511) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione
PubChem CID155563511
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(CC(C)c2c(C)noc2C)C1=O
InChIInChI=1S/C15H23N3O3/c1-6-8(2)13-14(19)18(15(20)16-13)7-9(3)12-10(4)17-21-11(12)5/h8-9,13H,6-7H2,1-5H3,(H,16,20)
InChIKeyBTHYHCACRSHDSG-UHFFFAOYSA-N
XLogP2.36
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-((3,5-Dimethylisoxazol-4-yl)methyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2363815
3-[(5-Methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8949145
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 32117010
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 51084619
N-methyl-2-(2-oxoimidazolidin-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 72854357
N'-{(3S*,4R*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylurea
CID 72875507
N-cyclopentyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589831
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50808744
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 50808765
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789161
N~2~-(aminocarbonyl)-N~1~-{(3R*,4S*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-propyl-3-pyrrolidinyl}-N~2~-methylglycinamide
CID 72899792

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione (CID 155563511) is 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione is CCC(C)C1NC(=O)N(CC(C)c2c(C)noc2C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is BTHYHCACRSHDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-6-8(2)13-14(19)18(15(20)16-13)7-9(3)12-10(4)17-21-11(12)5/h8-9,13H,6-7H2,1-5H3,(H,16,20).
What are the key properties of 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione?
5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 293.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 155563511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).