(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

C8H15NO3 — CID 18640470

IUPAC(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)O[C@H](CO)[C@H]1C
InChIInChI=1S/C8H15NO3/c1-5(2)9-6(3)7(4-10)12-8(9)11/h5-7,10H,4H2,1-3H3/t6-,7-/m1/s1
InChIKeyUPYGTXFCNXHUOJ-RNFRBKRXSA-N
MW173.21 g/mol
LogP0.60
Rot. Bonds2

About (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 18640470) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID18640470
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)O[C@H](CO)[C@H]1C
InChIInChI=1S/C8H15NO3/c1-5(2)9-6(3)7(4-10)12-8(9)11/h5-7,10H,4H2,1-3H3/t6-,7-/m1/s1
InChIKeyUPYGTXFCNXHUOJ-RNFRBKRXSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 67896747
[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate
CID 70360453
[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate
CID 154236104
4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one
CID 14039899
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 115064054
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one
CID 83845475
(3R,4S,5R)-3-acetyl-4,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59097313
5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 91222289
(3S,6S)-3-(hydroxymethyl)-6-methyl-1,4-dioxane-2,5-dione
CID 59819049

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (CID 18640470) is (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C(=O)O[C@H](CO)[C@H]1C.
What is the InChIKey of (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UPYGTXFCNXHUOJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)9-6(3)7(4-10)12-8(9)11/h5-7,10H,4H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 18640470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).