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

C7H13NO3 — CID 143282837

IUPAC5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(C(C)(C)O)OC1=O
InChIInChI=1S/C7H13NO3/c1-7(2,10)5-4-8(3)6(9)11-5/h5,10H,4H2,1-3H3
InChIKeyAOEKHCBLNUVIPF-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.21
Rot. Bonds1

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

5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 143282837) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID143282837
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(C(C)(C)O)OC1=O
InChIInChI=1S/C7H13NO3/c1-7(2,10)5-4-8(3)6(9)11-5/h5,10H,4H2,1-3H3
InChIKeyAOEKHCBLNUVIPF-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Compound 10
CID 13329883
5-(Hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 14456876
3-(1,1-Dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one
CID 2802885
rac-tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
CID 14948608
(5S)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 45087456
Tert-butyl 3-(hydroxymethyl)-3-methoxypyrrolidine-1-carboxylate
CID 105489501
5-(Hydroxymethyl)-3-(1-methylethyl)oxazolidin-2-one
CID 2793992
2-Oxazolidinone, 5-(hydroxymethyl)-3-(1-methylethyl)-, (S)-
CID 10877402
4-Hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 5133683
AC1Mdpnd
CID 2793788
tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
CID 54052542
Tert-butyl 4-hydroxy-3-methoxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 156563420

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one (CID 143282837) is 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one is CN1CC(C(C)(C)O)OC1=O.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is AOEKHCBLNUVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,10)5-4-8(3)6(9)11-5/h5,10H,4H2,1-3H3.
What are the key properties of 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143282837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).