(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone

C12H15NO5 — CID 112736663

IUPAC(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CC(O)CO1
InChIInChI=1S/C12H15NO5/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-6-8(14)7-18-13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyCJMSGYMMDSLRNU-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.45
Rot. Bonds3

About (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone

(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone (PubChem CID 112736663) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone
PubChem CID112736663
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CC(O)CO1
InChIInChI=1S/C12H15NO5/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-6-8(14)7-18-13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyCJMSGYMMDSLRNU-UHFFFAOYSA-N
XLogP0.45
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone (CID 112736663) is (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone is COc1cccc(OC)c1C(=O)N1CC(O)CO1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone?
The InChIKey is CJMSGYMMDSLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-6-8(14)7-18-13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone?
(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone has a molecular weight of 253.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 112736663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).