(5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one

C20H29NO5 — CID 110157713

IUPAC(5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)[C@H]1CC[C@@](C)([C@H]2CN([C@@H](CO)Cc3ccccc3)C(=O)O2)O1
InChIInChI=1S/C20H29NO5/c1-19(2,24)16-9-10-20(3,26-16)17-12-21(18(23)25-17)15(13-22)11-14-7-5-4-6-8-14/h4-8,15-17,22,24H,9-13H2,1-3H3/t15-,16-,17-,20+/m1/s1
InChIKeyMBXLLBCQTMHCIS-VIPLHTEESA-N
MW363.45 g/mol
LogP2.12
Rot. Bonds6

About (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one

(5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110157713) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one
PubChem CID110157713
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name(5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)[C@H]1CC[C@@](C)([C@H]2CN([C@@H](CO)Cc3ccccc3)C(=O)O2)O1
InChIInChI=1S/C20H29NO5/c1-19(2,24)16-9-10-20(3,26-16)17-12-21(18(23)25-17)15(13-22)11-14-7-5-4-6-8-14/h4-8,15-17,22,24H,9-13H2,1-3H3/t15-,16-,17-,20+/m1/s1
InChIKeyMBXLLBCQTMHCIS-VIPLHTEESA-N
XLogP2.12
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one (CID 110157713) is (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one is CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CN([C@@H](CO)Cc3ccccc3)C(=O)O2)O1.
What is the InChIKey of (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is MBXLLBCQTMHCIS-VIPLHTEESA-N. The full InChI is InChI=1S/C20H29NO5/c1-19(2,24)16-9-10-20(3,26-16)17-12-21(18(23)25-17)15(13-22)11-14-7-5-4-6-8-14/h4-8,15-17,22,24H,9-13H2,1-3H3/t15-,16-,17-,20+/m1/s1.
What are the key properties of (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one?
(5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 363.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110157713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).