3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione

C8H10N4O3 — CID 82508004

IUPAC3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESNCc1cc(CN2C(=O)CNC2=O)on1
InChIInChI=1S/C8H10N4O3/c9-2-5-1-6(15-11-5)4-12-7(13)3-10-8(12)14/h1H,2-4,9H2,(H,10,14)
InChIKeyLIZGKFLDOICPFU-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.81
Rot. Bonds3

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

3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 82508004) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID82508004
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESNCc1cc(CN2C(=O)CNC2=O)on1
InChIInChI=1S/C8H10N4O3/c9-2-5-1-6(15-11-5)4-12-7(13)3-10-8(12)14/h1H,2-4,9H2,(H,10,14)
InChIKeyLIZGKFLDOICPFU-UHFFFAOYSA-N
XLogP-0.81
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
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-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione (CID 82508004) is 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione is NCc1cc(CN2C(=O)CNC2=O)on1.
What is the InChIKey of 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LIZGKFLDOICPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-2-5-1-6(15-11-5)4-12-7(13)3-10-8(12)14/h1H,2-4,9H2,(H,10,14).
What are the key properties of 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione?
3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 82508004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).