(2S)-2-phenyl-1,3-oxazolidin-4-one

C9H9NO2 — CID 121333258

IUPAC(2S)-2-phenyl-1,3-oxazolidin-4-one
SMILESO=C1CO[C@@H](c2ccccc2)N1
InChIInChI=1S/C9H9NO2/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)/t9-/m0/s1
InChIKeyRVFRYUNGRFJAFI-VIFPVBQESA-N
MW163.18 g/mol
LogP0.83
Rot. Bonds1

About (2S)-2-phenyl-1,3-oxazolidin-4-one

(2S)-2-phenyl-1,3-oxazolidin-4-one (PubChem CID 121333258) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (2S)-2-phenyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-phenyl-1,3-oxazolidin-4-one
PubChem CID121333258
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(2S)-2-phenyl-1,3-oxazolidin-4-one
SMILESO=C1CO[C@@H](c2ccccc2)N1
InChIInChI=1S/C9H9NO2/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)/t9-/m0/s1
InChIKeyRVFRYUNGRFJAFI-VIFPVBQESA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1,3-oxazolidin-4-one?
The IUPAC name of (2S)-2-phenyl-1,3-oxazolidin-4-one (CID 121333258) is (2S)-2-phenyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (2S)-2-phenyl-1,3-oxazolidin-4-one?
The canonical SMILES for (2S)-2-phenyl-1,3-oxazolidin-4-one is O=C1CO[C@@H](c2ccccc2)N1.
What is the InChIKey of (2S)-2-phenyl-1,3-oxazolidin-4-one?
The InChIKey is RVFRYUNGRFJAFI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)/t9-/m0/s1.
What are the key properties of (2S)-2-phenyl-1,3-oxazolidin-4-one?
(2S)-2-phenyl-1,3-oxazolidin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 121333258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).