3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one

C8H11N3O2 — CID 137453684

IUPAC3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCn1cnc(CN2CCOC2=O)c1
InChIInChI=1S/C8H11N3O2/c1-10-4-7(9-6-10)5-11-2-3-13-8(11)12/h4,6H,2-3,5H2,1H3
InChIKeyWZXFECFNALTRDL-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.37
Rot. Bonds2

About 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one

3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 137453684) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID137453684
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCn1cnc(CN2CCOC2=O)c1
InChIInChI=1S/C8H11N3O2/c1-10-4-7(9-6-10)5-11-2-3-13-8(11)12/h4,6H,2-3,5H2,1H3
InChIKeyWZXFECFNALTRDL-UHFFFAOYSA-N
XLogP0.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one (CID 137453684) is 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one is Cn1cnc(CN2CCOC2=O)c1.
What is the InChIKey of 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is WZXFECFNALTRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-10-4-7(9-6-10)5-11-2-3-13-8(11)12/h4,6H,2-3,5H2,1H3.
What are the key properties of 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one?
3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 181.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 137453684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).