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

C7H13NO3 — CID 2793991

IUPAC(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@H](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/t6-/m1/s1
InChIKeyRXRVCSDDGFQDOJ-ZCFIWIBFSA-N
MW159.18 g/mol
LogP0.21
Rot. Bonds2

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

(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 2793991) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID2793991
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@H](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/t6-/m1/s1
InChIKeyRXRVCSDDGFQDOJ-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 2793991) is (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C[C@H](CO)OC1=O.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RXRVCSDDGFQDOJ-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
(5R)-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 (5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2793991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).