2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone

C12H15Cl2NO3 — CID 139636542

IUPAC2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC1C(c2ccco2)OC(C)(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C12H15Cl2NO3/c1-7-9(8-5-4-6-17-8)18-12(2,3)15(7)11(16)10(13)14/h4-7,9-10H,1-3H3
InChIKeyQXEHUCYVWHHNFE-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.11
Rot. Bonds2

About 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone

2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 139636542) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID139636542
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC1C(c2ccco2)OC(C)(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C12H15Cl2NO3/c1-7-9(8-5-4-6-17-8)18-12(2,3)15(7)11(16)10(13)14/h4-7,9-10H,1-3H3
InChIKeyQXEHUCYVWHHNFE-UHFFFAOYSA-N
XLogP3.11
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone (CID 139636542) is 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone is CC1C(c2ccco2)OC(C)(C)N1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is QXEHUCYVWHHNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-7-9(8-5-4-6-17-8)18-12(2,3)15(7)11(16)10(13)14/h4-7,9-10H,1-3H3.
What are the key properties of 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 292.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 139636542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).