(5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

C15H21NO5 — CID 18646233

IUPAC(5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCC[C@@H](C)O)cc2)C(=O)O1
InChIInChI=1S/C15H21NO5/c1-11(17)7-8-20-13-5-3-12(4-6-13)16-9-14(10-19-2)21-15(16)18/h3-6,11,14,17H,7-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyISZQPDPRJFLWSR-BXUZGUMPSA-N
MW295.34 g/mol
LogP1.81
Rot. Bonds7

About (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 18646233) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID18646233
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name(5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCC[C@@H](C)O)cc2)C(=O)O1
InChIInChI=1S/C15H21NO5/c1-11(17)7-8-20-13-5-3-12(4-6-13)16-9-14(10-19-2)21-15(16)18/h3-6,11,14,17H,7-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyISZQPDPRJFLWSR-BXUZGUMPSA-N
XLogP1.81
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 18646233) is (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(OCC[C@@H](C)O)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is ISZQPDPRJFLWSR-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(17)7-8-20-13-5-3-12(4-6-13)16-9-14(10-19-2)21-15(16)18/h3-6,11,14,17H,7-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[(3R)-3-hydroxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).