3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione

C11H10N4O3 — CID 79995104

IUPAC3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESNc1ccc2nc(CN3C(=O)CNC3=O)oc2c1
InChIInChI=1S/C11H10N4O3/c12-6-1-2-7-8(3-6)18-9(14-7)5-15-10(16)4-13-11(15)17/h1-3H,4-5,12H2,(H,13,17)
InChIKeyUAPKKAKVDKJGMI-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.46
Rot. Bonds2

About 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione

3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 79995104) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID79995104
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESNc1ccc2nc(CN3C(=O)CNC3=O)oc2c1
InChIInChI=1S/C11H10N4O3/c12-6-1-2-7-8(3-6)18-9(14-7)5-15-10(16)4-13-11(15)17/h1-3H,4-5,12H2,(H,13,17)
InChIKeyUAPKKAKVDKJGMI-UHFFFAOYSA-N
XLogP0.46
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-amino-1,3-benzoxazol-2-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 79996077
3-[(4-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione
CID 79995211
3-[(5-amino-1,3-benzoxazol-2-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 79964488
1-[(6-amino-1,3-benzoxazol-2-yl)methyl]-5-methylazepan-2-one
CID 79998608
2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine
CID 113375424
3-[(5-amino-1,3-benzoxazol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79963974
5-[(6-amino-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115912009
4-[(5-amino-1,3-benzoxazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 79964822
2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide
CID 72881141
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996144
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 103530830

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione (CID 79995104) is 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione is Nc1ccc2nc(CN3C(=O)CNC3=O)oc2c1.
What is the InChIKey of 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UAPKKAKVDKJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-6-1-2-7-8(3-6)18-9(14-7)5-15-10(16)4-13-11(15)17/h1-3H,4-5,12H2,(H,13,17).
What are the key properties of 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione?
3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 246.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79995104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).