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

C7H9N3O2 — CID 23548103

IUPAC5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2ccnc2)O1
InChIInChI=1S/C7H9N3O2/c11-7-9-3-6(12-7)4-10-2-1-8-5-10/h1-2,5-6H,3-4H2,(H,9,11)
InChIKeyQXHMMVIUMXFATB-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.01
Rot. Bonds2

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

5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23548103) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23548103
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2ccnc2)O1
InChIInChI=1S/C7H9N3O2/c11-7-9-3-6(12-7)4-10-2-1-8-5-10/h1-2,5-6H,3-4H2,(H,9,11)
InChIKeyQXHMMVIUMXFATB-UHFFFAOYSA-N
XLogP-0.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 66893932
5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 131155972
1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrazole-3-carboxamide
CID 67487864
5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 115773533
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one
CID 20706364
(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 69364312
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 61175870
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 66360136
(2S)-2-(imidazol-1-ylmethyl)cycloheptan-1-one
CID 93020339
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23548103) is 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1NCC(Cn2ccnc2)O1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QXHMMVIUMXFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7-9-3-6(12-7)4-10-2-1-8-5-10/h1-2,5-6H,3-4H2,(H,9,11).
What are the key properties of 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 167.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23548103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).