2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one

C14H17NO2 — CID 86714742

IUPAC2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one
SMILESO=C1CC(C2CCC2)N(Cc2ccccc2)O1
InChIInChI=1S/C14H17NO2/c16-14-9-13(12-7-4-8-12)15(17-14)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyMINAQWQSFRFQFY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds3

About 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one

2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one (PubChem CID 86714742) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one
PubChem CID86714742
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one
SMILESO=C1CC(C2CCC2)N(Cc2ccccc2)O1
InChIInChI=1S/C14H17NO2/c16-14-9-13(12-7-4-8-12)15(17-14)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyMINAQWQSFRFQFY-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
CID 13358936
2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one
CID 15839778
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
CID 102406016
(1R,5S)-3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
CID 10036798
(4aS,7aS)-1,3-dibenzyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-2-one
CID 102209940
3-benzyl-5-cyclobutylimidazolidine-2,4-dione
CID 130900496
1-benzyl-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepin-7-one
CID 83488594
(1R,4aR,7aR)-1-benzyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 11276286
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
CID 134859484
2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-1,2-oxazolidin-5-one
CID 85300293

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one?
The IUPAC name of 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one (CID 86714742) is 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one.
What is the SMILES notation for 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one?
The canonical SMILES for 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one is O=C1CC(C2CCC2)N(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one?
The InChIKey is MINAQWQSFRFQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14-9-13(12-7-4-8-12)15(17-14)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one?
2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one has a molecular weight of 231.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 86714742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).