1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one

C12H14N4O2 — CID 79995960

IUPAC1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2nc3c(N)cccc3o2)C1=O
InChIInChI=1S/C12H14N4O2/c1-15-5-6-16(12(15)17)7-10-14-11-8(13)3-2-4-9(11)18-10/h2-4H,5-7,13H2,1H3
InChIKeyLJYVVFVNZLYMNT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.28
Rot. Bonds2

About 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one

1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one (PubChem CID 79995960) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one
PubChem CID79995960
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2nc3c(N)cccc3o2)C1=O
InChIInChI=1S/C12H14N4O2/c1-15-5-6-16(12(15)17)7-10-14-11-8(13)3-2-4-9(11)18-10/h2-4H,5-7,13H2,1H3
InChIKeyLJYVVFVNZLYMNT-UHFFFAOYSA-N
XLogP1.28
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 79996082
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-methylpiperazine-2,5-dione
CID 79997752
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510941
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]azepane-2,7-dione
CID 79996159
2-[(4-amino-1,3-benzoxazol-2-yl)methyl]isoindole-1,3-dione
CID 82346442
3-[(4-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione
CID 79995211
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 114462231
2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
CID 79995381
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103494165
2-[(3-methylthiomorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
CID 79994794
2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996226
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103530943

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one (CID 79995960) is 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2nc3c(N)cccc3o2)C1=O.
What is the InChIKey of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is LJYVVFVNZLYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15-5-6-16(12(15)17)7-10-14-11-8(13)3-2-4-9(11)18-10/h2-4H,5-7,13H2,1H3.
What are the key properties of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one?
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 79995960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).