5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one

C9H15NO3 — CID 117158929

IUPAC5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one
SMILESCC1(C2CCCOC2)CNC(=O)O1
InChIInChI=1S/C9H15NO3/c1-9(6-10-8(11)13-9)7-3-2-4-12-5-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyIKEHOCILNBVIAI-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.91
Rot. Bonds1

About 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one

5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one (PubChem CID 117158929) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one
PubChem CID117158929
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one
SMILESCC1(C2CCCOC2)CNC(=O)O1
InChIInChI=1S/C9H15NO3/c1-9(6-10-8(11)13-9)7-3-2-4-12-5-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyIKEHOCILNBVIAI-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one (CID 117158929) is 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one is CC1(C2CCCOC2)CNC(=O)O1.
What is the InChIKey of 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is IKEHOCILNBVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(6-10-8(11)13-9)7-3-2-4-12-5-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one?
5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).