(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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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).