(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one

C9H13N3O2 — CID 90179129

IUPAC(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2nccn2C)OC(=O)N1C
InChIInChI=1S/C9H13N3O2/c1-6-7(14-9(13)12(6)3)8-10-4-5-11(8)2/h4-7H,1-3H3/t6-,7-/m0/s1
InChIKeyJYHNAGRMGHXLOZ-BQBZGAKWSA-N
MW195.22 g/mol
LogP0.93
Rot. Bonds1

About (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one

(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 90179129) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one
PubChem CID90179129
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2nccn2C)OC(=O)N1C
InChIInChI=1S/C9H13N3O2/c1-6-7(14-9(13)12(6)3)8-10-4-5-11(8)2/h4-7H,1-3H3/t6-,7-/m0/s1
InChIKeyJYHNAGRMGHXLOZ-BQBZGAKWSA-N
XLogP0.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one (CID 90179129) is (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2nccn2C)OC(=O)N1C.
What is the InChIKey of (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is JYHNAGRMGHXLOZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(14-9(13)12(6)3)8-10-4-5-11(8)2/h4-7H,1-3H3/t6-,7-/m0/s1.
What are the key properties of (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one?
(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90179129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).