5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one

C9H15NO3 — CID 117158949

IUPAC5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC1(CC2CCCO2)CNC(=O)O1
InChIInChI=1S/C9H15NO3/c1-9(6-10-8(11)13-9)5-7-3-2-4-12-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYHFABFCJRCEUDM-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.05
Rot. Bonds2

About 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one

5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 117158949) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID117158949
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC1(CC2CCCO2)CNC(=O)O1
InChIInChI=1S/C9H15NO3/c1-9(6-10-8(11)13-9)5-7-3-2-4-12-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYHFABFCJRCEUDM-UHFFFAOYSA-N
XLogP1.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-methyloxolan-2-yl]methyl]oxane
CID 102007919
2-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007920
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine
CID 79452576
3-(oxolan-2-ylmethyl)-3-propylazetidine
CID 79451538
5-methyl-5-(4,4,4-trifluorobutyl)-1,3-oxazolidin-2-one
CID 116536272
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4825972
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 124881230
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
(2R)-2-ethyloxolane
CID 641529

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one (CID 117158949) is 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one is CC1(CC2CCCO2)CNC(=O)O1.
What is the InChIKey of 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YHFABFCJRCEUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(6-10-8(11)13-9)5-7-3-2-4-12-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).