3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide

C11H13N3O3 — CID 141009924

IUPAC3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCC2CNC(=O)O2)c1
InChIInChI=1S/C11H13N3O3/c12-10(13)7-2-1-3-8(4-7)16-6-9-5-14-11(15)17-9/h1-4,9H,5-6H2,(H3,12,13)(H,14,15)
InChIKeyODDKZSLHNHYMCD-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.46
Rot. Bonds4

About 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide

3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide (PubChem CID 141009924) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
PubChem CID141009924
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCC2CNC(=O)O2)c1
InChIInChI=1S/C11H13N3O3/c12-10(13)7-2-1-3-8(4-7)16-6-9-5-14-11(15)17-9/h1-4,9H,5-6H2,(H3,12,13)(H,14,15)
InChIKeyODDKZSLHNHYMCD-UHFFFAOYSA-N
XLogP0.46
TPSA97.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60882601
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide
CID 91531422
5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 107684721
ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
CID 60673999
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
2-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 107675374
2-methyl-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonamide
CID 82914735
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide (CID 141009924) is 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCC2CNC(=O)O2)c1.
What is the InChIKey of 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide?
The InChIKey is ODDKZSLHNHYMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-10(13)7-2-1-3-8(4-7)16-6-9-5-14-11(15)17-9/h1-4,9H,5-6H2,(H3,12,13)(H,14,15).
What are the key properties of 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide?
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide has a molecular weight of 235.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 141009924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).