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

C9H9NO3 — CID 102589156

IUPAC(4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(O)cc2)CO1
InChIInChI=1S/C9H9NO3/c11-7-3-1-6(2-4-7)8-5-13-9(12)10-8/h1-4,8,11H,5H2,(H,10,12)/t8-/m1/s1
InChIKeyWWWQPOKWIXIGIY-MRVPVSSYSA-N
MW179.17 g/mol
LogP1.17
Rot. Bonds1

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

(4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 102589156) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID102589156
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(O)cc2)CO1
InChIInChI=1S/C9H9NO3/c11-7-3-1-6(2-4-7)8-5-13-9(12)10-8/h1-4,8,11H,5H2,(H,10,12)/t8-/m1/s1
InChIKeyWWWQPOKWIXIGIY-MRVPVSSYSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 102589156) is (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccc(O)cc2)CO1.
What is the InChIKey of (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is WWWQPOKWIXIGIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-7-3-1-6(2-4-7)8-5-13-9(12)10-8/h1-4,8,11H,5H2,(H,10,12)/t8-/m1/s1.
What are the key properties of (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 179.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102589156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).