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

C16H23NO5 — CID 18646235

IUPAC(5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCC[C@@H](C)OC)cc2)C(=O)O1
InChIInChI=1S/C16H23NO5/c1-12(20-3)8-9-21-14-6-4-13(5-7-14)17-10-15(11-19-2)22-16(17)18/h4-7,12,15H,8-11H2,1-3H3/t12-,15-/m1/s1
InChIKeyCUWUMVYUJLUGRN-IUODEOHRSA-N
MW309.36 g/mol
LogP2.46
Rot. Bonds8

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

(5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 18646235) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID18646235
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCC[C@@H](C)OC)cc2)C(=O)O1
InChIInChI=1S/C16H23NO5/c1-12(20-3)8-9-21-14-6-4-13(5-7-14)17-10-15(11-19-2)22-16(17)18/h4-7,12,15H,8-11H2,1-3H3/t12-,15-/m1/s1
InChIKeyCUWUMVYUJLUGRN-IUODEOHRSA-N
XLogP2.46
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 18646235) is (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(OCC[C@@H](C)OC)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is CUWUMVYUJLUGRN-IUODEOHRSA-N. The full InChI is InChI=1S/C16H23NO5/c1-12(20-3)8-9-21-14-6-4-13(5-7-14)17-10-15(11-19-2)22-16(17)18/h4-7,12,15H,8-11H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 309.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).