1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

C12H15N3O4 — CID 18099793

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(CC(C)C)C2=O)on1
InChIInChI=1S/C12H15N3O4/c1-7(2)5-14-10(16)11(17)15(12(14)18)6-9-4-8(3)13-19-9/h4,7H,5-6H2,1-3H3
InChIKeyLSAFDQYSDRAYFW-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.93
Rot. Bonds4

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 18099793) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID18099793
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(CC(C)C)C2=O)on1
InChIInChI=1S/C12H15N3O4/c1-7(2)5-14-10(16)11(17)15(12(14)18)6-9-4-8(3)13-19-9/h4,7H,5-6H2,1-3H3
InChIKeyLSAFDQYSDRAYFW-UHFFFAOYSA-N
XLogP0.93
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 47122051
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
CID 51076439
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
CID 34634227
1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 18099885
5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
CID 61356229
7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
CID 61147506
3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17490213
7-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599878
(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine
CID 167047354
5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one
CID 66341320
1-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 7858115
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
CID 80505800

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 18099793) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is Cc1cc(CN2C(=O)C(=O)N(CC(C)C)C2=O)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is LSAFDQYSDRAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(2)5-14-10(16)11(17)15(12(14)18)6-9-4-8(3)13-19-9/h4,7H,5-6H2,1-3H3.
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 265.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 18099793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).