(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one

C14H19NO3 — CID 50901183

IUPAC(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](O)[C@H]1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C14H19NO3/c1-2-6-12(16)13-10-15(14(17)18-13)9-11-7-4-3-5-8-11/h3-5,7-8,12-13,16H,2,6,9-10H2,1H3/t12-,13-/m1/s1
InChIKeySEZGEBGZJXBKSW-CHWSQXEVSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds5

About (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one

(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one (PubChem CID 50901183) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
PubChem CID50901183
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](O)[C@H]1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C14H19NO3/c1-2-6-12(16)13-10-15(14(17)18-13)9-11-7-4-3-5-8-11/h3-5,7-8,12-13,16H,2,6,9-10H2,1H3/t12-,13-/m1/s1
InChIKeySEZGEBGZJXBKSW-CHWSQXEVSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(6S)-3-benzyl-6-(dihydroxymethyl)-1,3-oxazinan-2-one
CID 70601041
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
CID 144657002
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
[(1S)-1-[(5R)-3-benzyl-2-oxo-1,3-oxazolidin-5-yl]-3-butoxy-2-(1-phenylsulfanylethoxy)propyl] acetate
CID 71168280
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
(5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 69438165
3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222629
3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222628
3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one
CID 102591007

Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one (CID 50901183) is (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one is CCC[C@@H](O)[C@H]1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one?
The InChIKey is SEZGEBGZJXBKSW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-6-12(16)13-10-15(14(17)18-13)9-11-7-4-3-5-8-11/h3-5,7-8,12-13,16H,2,6,9-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one?
(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 50901183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).