(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H21NO3 — CID 10587635

IUPAC(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)O[C@@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-10(2)13-14(19-15(18)16-13)12(17)9-8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9H2,1-2H3,(H,16,18)/t12-,13+,14-/m1/s1
InChIKeyDGZSLILQVBVAIR-HZSPNIEDSA-N
MW263.34 g/mol
LogP2.11
Rot. Bonds5

About (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10587635) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10587635
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)O[C@@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-10(2)13-14(19-15(18)16-13)12(17)9-8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9H2,1-2H3,(H,16,18)/t12-,13+,14-/m1/s1
InChIKeyDGZSLILQVBVAIR-HZSPNIEDSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
CID 101184919
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one
CID 54687909
(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 135027570
5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69170299
(5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 57463046
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
cis-(2S,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclohexan-1-one
CID 101184924
2-methyl-4-phenylbutanoic acid
CID 66896591
(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
CID 165413358

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10587635) is (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1NC(=O)O[C@@H]1[C@H](O)CCc1ccccc1.
What is the InChIKey of (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DGZSLILQVBVAIR-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)13-14(19-15(18)16-13)12(17)9-8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9H2,1-2H3,(H,16,18)/t12-,13+,14-/m1/s1.
What are the key properties of (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10587635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).