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

C17H17NO3 — CID 124582958

IUPAC(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COCc2ccccc2)CN1c1ccccc1
InChIInChI=1S/C17H17NO3/c19-17-18(15-9-5-2-6-10-15)11-16(21-17)13-20-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyMLDTYQAUWYDELH-INIZCTEOSA-N
MW283.33 g/mol
LogP3.23
Rot. Bonds5

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

(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 124582958) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID124582958
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COCc2ccccc2)CN1c1ccccc1
InChIInChI=1S/C17H17NO3/c19-17-18(15-9-5-2-6-10-15)11-16(21-17)13-20-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyMLDTYQAUWYDELH-INIZCTEOSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.23
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)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 124583005
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
5-benzyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 54588510
5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
CID 2793780
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
1-[4-[2-oxo-5-(phenylmethoxymethyl)-1,3-oxazolidin-3-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
CID 66971598

Frequently Asked Questions

What is the IUPAC name of (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (CID 124582958) is (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](COCc2ccccc2)CN1c1ccccc1.
What is the InChIKey of (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is MLDTYQAUWYDELH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17-18(15-9-5-2-6-10-15)11-16(21-17)13-20-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 124582958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).