(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one

C14H19NO3 — CID 124583005

IUPAC(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)COC[C@@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H19NO3/c1-11(2)9-17-10-13-8-15(14(16)18-13)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyJJPFBADUTRKMKO-ZDUSSCGKSA-N
MW249.31 g/mol
LogP2.68
Rot. Bonds5

About (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one

(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 124583005) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
PubChem CID124583005
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)COC[C@@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H19NO3/c1-11(2)9-17-10-13-8-15(14(16)18-13)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyJJPFBADUTRKMKO-ZDUSSCGKSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[2-[2-[2-[2-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 16754539
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580285
3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 59580236
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
CID 110632574
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580198

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one (CID 124583005) is (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one is CC(C)COC[C@@H]1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JJPFBADUTRKMKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(2)9-17-10-13-8-15(14(16)18-13)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-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one?
(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124583005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).