3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione

C15H24N4O3 — CID 56815614

IUPAC3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H24N4O3/c1-10-12(11(2)22-17-10)9-18(5)7-6-8-19-13(20)15(3,4)16-14(19)21/h6-9H2,1-5H3,(H,16,21)
InChIKeyJYWQNNGGYNJOKY-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.44
Rot. Bonds6

About 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 56815614) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID56815614
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H24N4O3/c1-10-12(11(2)22-17-10)9-18(5)7-6-8-19-13(20)15(3,4)16-14(19)21/h6-9H2,1-5H3,(H,16,21)
InChIKeyJYWQNNGGYNJOKY-UHFFFAOYSA-N
XLogP1.44
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 56815614) is 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1CN(C)CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JYWQNNGGYNJOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-12(11(2)22-17-10)9-18(5)7-6-8-19-13(20)15(3,4)16-14(19)21/h6-9H2,1-5H3,(H,16,21).
What are the key properties of 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 56815614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).