5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one

C13H13N3O2 — CID 20706364

IUPAC5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccccc2)C(Cn2ccnc2)O1
InChIInChI=1S/C13H13N3O2/c17-13-15-12(10-4-2-1-3-5-10)11(18-13)8-16-7-6-14-9-16/h1-7,9,11-12H,8H2,(H,15,17)
InChIKeyKNNXQYPSFSDBML-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.73
Rot. Bonds3

About 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one

5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 20706364) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID20706364
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccccc2)C(Cn2ccnc2)O1
InChIInChI=1S/C13H13N3O2/c17-13-15-12(10-4-2-1-3-5-10)11(18-13)8-16-7-6-14-9-16/h1-7,9,11-12H,8H2,(H,15,17)
InChIKeyKNNXQYPSFSDBML-UHFFFAOYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23548103
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 22214859
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
1-[(6-phenoxyoxan-2-yl)methyl]imidazole
CID 13073919
(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 24993379
(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 70958315
benzhydryl 2-imidazol-1-ylacetate
CID 3678349
5-fluoro-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 102411424
3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873394
(5S)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 1155695
[(1S,2S,4R)-2-benzyl-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 154822656

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one (CID 20706364) is 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one is O=C1NC(c2ccccc2)C(Cn2ccnc2)O1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KNNXQYPSFSDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13-15-12(10-4-2-1-3-5-10)11(18-13)8-16-7-6-14-9-16/h1-7,9,11-12H,8H2,(H,15,17).
What are the key properties of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 20706364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).