[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone

C12H17N3O3 — CID 128986542

IUPAC[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCO1
InChIInChI=1S/C12H17N3O3/c1-14-6-4-13-11(14)10-9(3-8-17-10)12(16)15-5-2-7-18-15/h4,6,9-10H,2-3,5,7-8H2,1H3/t9-,10-/m1/s1
InChIKeyLTRNUMYGDVLCOZ-NXEZZACHSA-N
MW251.29 g/mol
LogP0.66
Rot. Bonds2

About [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone

[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 128986542) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID128986542
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCO1
InChIInChI=1S/C12H17N3O3/c1-14-6-4-13-11(14)10-9(3-8-17-10)12(16)15-5-2-7-18-15/h4,6,9-10H,2-3,5,7-8H2,1H3/t9-,10-/m1/s1
InChIKeyLTRNUMYGDVLCOZ-NXEZZACHSA-N
XLogP0.66
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone (CID 128986542) is [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone is Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCO1.
What is the InChIKey of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is LTRNUMYGDVLCOZ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-6-4-13-11(14)10-9(3-8-17-10)12(16)15-5-2-7-18-15/h4,6,9-10H,2-3,5,7-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone?
[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 128986542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).