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

C14H19NO3 — CID 13339835

IUPAC(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@@H](COCc2ccccc2)OC1=O
InChIInChI=1S/C14H19NO3/c1-11(2)15-8-13(18-14(15)16)10-17-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyUEBIKSVWKBZAIG-ZDUSSCGKSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds5

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

(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 13339835) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID13339835
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@@H](COCc2ccccc2)OC1=O
InChIInChI=1S/C14H19NO3/c1-11(2)15-8-13(18-14(15)16)10-17-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyUEBIKSVWKBZAIG-ZDUSSCGKSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
CID 2793780
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 45096024
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10989192
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 124583005
3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 160984171
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
(2R)-4-phenyl-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 14667648
(5S)-5-propan-2-yl-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-oxazolidine-2,4-dione
CID 11802551

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 13339835) is (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C[C@@H](COCc2ccccc2)OC1=O.
What is the InChIKey of (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UEBIKSVWKBZAIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(2)15-8-13(18-14(15)16)10-17-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 13339835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).