5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one

C16H20N2O5 — CID 130413931

IUPAC5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(N2CCCCC2=O)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C16H20N2O5/c1-22-14-8-11(17-7-3-2-4-15(17)20)5-6-13(14)18-9-12(10-19)23-16(18)21/h5-6,8,12,19H,2-4,7,9-10H2,1H3
InChIKeyZGFAAXVGQLHWNN-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.53
Rot. Bonds4

About 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 130413931) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID130413931
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(N2CCCCC2=O)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C16H20N2O5/c1-22-14-8-11(17-7-3-2-4-15(17)20)5-6-13(14)18-9-12(10-19)23-16(18)21/h5-6,8,12,19H,2-4,7,9-10H2,1H3
InChIKeyZGFAAXVGQLHWNN-UHFFFAOYSA-N
XLogP1.53
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 130413931) is 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one is COc1cc(N2CCCCC2=O)ccc1N1CC(CO)OC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZGFAAXVGQLHWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-22-14-8-11(17-7-3-2-4-15(17)20)5-6-13(14)18-9-12(10-19)23-16(18)21/h5-6,8,12,19H,2-4,7,9-10H2,1H3.
What are the key properties of 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130413931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).