3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

C12H15NO3 — CID 3029679

IUPAC3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c1-12(8-14)9-16-11(15)13(12)7-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3
InChIKeyFOWKJENYQGRODY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.39
Rot. Bonds3

About 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 3029679) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID3029679
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c1-12(8-14)9-16-11(15)13(12)7-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3
InChIKeyFOWKJENYQGRODY-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
(4-Benzyl-3-methylmorpholin-3-yl)methanol
CID 22342862
Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate
CID 57836
tert-Butyl benzyl(4-hydroxybutyl)carbamate
CID 22006367
1-Benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
3-(2-Fluoro-3-methylbenzyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72887301
(5S)-5-(Hydroxymethyl)-3-[(1R)-1-phenylethyl]-2-oxazolidinone
CID 728617
3-(1-Benzyl-piperidin-4-yl)-oxazolidin-2-one
CID 13060626

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (CID 3029679) is 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is CC1(CO)COC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is FOWKJENYQGRODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(8-14)9-16-11(15)13(12)7-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3.
What are the key properties of 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3029679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).