6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one

C11H11N3O3 — CID 116855828

IUPAC6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C3CNC(=O)N3)cc2N1
InChIInChI=1S/C11H11N3O3/c15-10-5-17-9-2-1-6(3-7(9)13-10)8-4-12-11(16)14-8/h1-3,8H,4-5H2,(H,13,15)(H2,12,14,16)
InChIKeyLNJAEVCMKWPMRV-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.37
Rot. Bonds1

About 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one

6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 116855828) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
PubChem CID116855828
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C3CNC(=O)N3)cc2N1
InChIInChI=1S/C11H11N3O3/c15-10-5-17-9-2-1-6(3-7(9)13-10)8-4-12-11(16)14-8/h1-3,8H,4-5H2,(H,13,15)(H2,12,14,16)
InChIKeyLNJAEVCMKWPMRV-UHFFFAOYSA-N
XLogP0.37
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)imidazolidine-1-carbonitrile
CID 116980052
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
6-(oxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 61273172
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
(3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid
CID 57415809
6-(1,1-difluoroethyl)-4H-1,4-benzoxazin-3-one
CID 84679492
6-(oxolane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43339532
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
6-[hydroxy(1H-pyrazol-5-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 114992868
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one (CID 116855828) is 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C3CNC(=O)N3)cc2N1.
What is the InChIKey of 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is LNJAEVCMKWPMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10-5-17-9-2-1-6(3-7(9)13-10)8-4-12-11(16)14-8/h1-3,8H,4-5H2,(H,13,15)(H2,12,14,16).
What are the key properties of 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 233.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116855828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).