1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol

C13H19NO3 — CID 174942752

IUPAC1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol
SMILESCOc1ccc(CN2COC[C@@H]2C(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(15)13-8-17-9-14(13)7-11-3-5-12(16-2)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3/t10?,13-/m1/s1
InChIKeyKUPRNWNJOTVISF-JLOHTSLTSA-N
MW237.30 g/mol
LogP1.23
Rot. Bonds4

About 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol

1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol (PubChem CID 174942752) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol
PubChem CID174942752
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol
SMILESCOc1ccc(CN2COC[C@@H]2C(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(15)13-8-17-9-14(13)7-11-3-5-12(16-2)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3/t10?,13-/m1/s1
InChIKeyKUPRNWNJOTVISF-JLOHTSLTSA-N
XLogP1.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol?
The IUPAC name of 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol (CID 174942752) is 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol.
What is the SMILES notation for 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol?
The canonical SMILES for 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol is COc1ccc(CN2COC[C@@H]2C(C)O)cc1.
What is the InChIKey of 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol?
The InChIKey is KUPRNWNJOTVISF-JLOHTSLTSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)13-8-17-9-14(13)7-11-3-5-12(16-2)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3/t10?,13-/m1/s1.
What are the key properties of 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol?
1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol has a molecular weight of 237.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol is sourced from PubChem (CID 174942752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).