(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one

C9H15NO4 — CID 44604239

IUPAC(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](COC2CCCCO2)CO1
InChIInChI=1S/C9H15NO4/c11-9-10-7(6-14-9)5-13-8-3-1-2-4-12-8/h7-8H,1-6H2,(H,10,11)/t7-,8?/m0/s1
InChIKeyLTYVFQOKSNVPSR-JAMMHHFISA-N
MW201.22 g/mol
LogP0.64
Rot. Bonds3

About (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one

(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 44604239) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID44604239
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](COC2CCCCO2)CO1
InChIInChI=1S/C9H15NO4/c11-9-10-7(6-14-9)5-13-8-3-1-2-4-12-8/h7-8H,1-6H2,(H,10,11)/t7-,8?/m0/s1
InChIKeyLTYVFQOKSNVPSR-JAMMHHFISA-N
XLogP0.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035
3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
CID 121451856
(4S)-4-(oxan-2-yloxy)oxolan-2-one
CID 139705709
2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one
CID 15097255
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(2-methylsulfinylethoxy)oxane
CID 139397304
4-[2-methyl-4-(oxan-2-yloxy)butan-2-yl]oxetan-2-one
CID 155596566
(2S)-2-[2-[(2R)-oxan-2-yl]oxyacetyl]cycloheptan-1-one
CID 129383958
(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran
CID 11241051
(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one;(5S)-1-methyl-5-[[(2S)-oxan-2-yl]oxymethyl]pyrrolidin-2-one
CID 155796944

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (CID 44604239) is (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](COC2CCCCO2)CO1.
What is the InChIKey of (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is LTYVFQOKSNVPSR-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15NO4/c11-9-10-7(6-14-9)5-13-8-3-1-2-4-12-8/h7-8H,1-6H2,(H,10,11)/t7-,8?/m0/s1.
What are the key properties of (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 201.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 44604239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).