(4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one

C16H23NO5 — CID 139252375

IUPAC(4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](OCc1ccc(OC)cc1)[C@@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C16H23NO5/c1-3-4-14(15(18)13-10-22-16(19)17-13)21-9-11-5-7-12(20-2)8-6-11/h5-8,13-15,18H,3-4,9-10H2,1-2H3,(H,17,19)/t13-,14+,15-/m0/s1
InChIKeyXQBYKAOTUHOYBX-ZNMIVQPWSA-N
MW309.36 g/mol
LogP1.85
Rot. Bonds8

About (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one

(4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one (PubChem CID 139252375) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one
PubChem CID139252375
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](OCc1ccc(OC)cc1)[C@@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C16H23NO5/c1-3-4-14(15(18)13-10-22-16(19)17-13)21-9-11-5-7-12(20-2)8-6-11/h5-8,13-15,18H,3-4,9-10H2,1-2H3,(H,17,19)/t13-,14+,15-/m0/s1
InChIKeyXQBYKAOTUHOYBX-ZNMIVQPWSA-N
XLogP1.85
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one (CID 139252375) is (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one is CCC[C@@H](OCc1ccc(OC)cc1)[C@@H](O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one?
The InChIKey is XQBYKAOTUHOYBX-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H23NO5/c1-3-4-14(15(18)13-10-22-16(19)17-13)21-9-11-5-7-12(20-2)8-6-11/h5-8,13-15,18H,3-4,9-10H2,1-2H3,(H,17,19)/t13-,14+,15-/m0/s1.
What are the key properties of (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one?
(4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one has a molecular weight of 309.36 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139252375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).