5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

C7H13NO3 — CID 2793992

IUPAC5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyRXRVCSDDGFQDOJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.21
Rot. Bonds2

About 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 2793992) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID2793992
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyRXRVCSDDGFQDOJ-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

3-(2-Hydroxypropyl)-5-methyl-2-oxazolidinone
CID 18802
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
3-Cyclopropyl-5-(hydroxymethyl)oxazolidin-2-one
CID 90190338
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
3-(2-Fluoroethyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171561944
(r)-5-(Hydroxymethyl)-3-isopropyloxazolidin-2-one
CID 2793991
3-Butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67861503

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 2793992) is 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(CO)OC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RXRVCSDDGFQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2793992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).