(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C12H15NO2 — CID 70829759

IUPAC(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-8(2)10-11(15-12(14)13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyDBFUMOYDHPTNBV-QWRGUYRKSA-N
MW205.26 g/mol
LogP2.49
Rot. Bonds2

About (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 70829759) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID70829759
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-8(2)10-11(15-12(14)13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyDBFUMOYDHPTNBV-QWRGUYRKSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 84723470
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate
CID 57373164
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 10536862
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one
CID 71045704
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796
(4S,5R,6R)-4-(2-iodophenyl)-5-methyl-6-phenyl-1,3-oxazinan-2-one
CID 139125471

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 70829759) is (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1NC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DBFUMOYDHPTNBV-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)10-11(15-12(14)13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3,(H,13,14)/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70829759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).