5-benzyl-1,3-oxazolidine

C10H13NO — CID 141039879

IUPAC5-benzyl-1,3-oxazolidine
SMILESc1ccc(CC2CNCO2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,10-11H,6-8H2
InChIKeyAQNQNFQDEGDRIP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.17
Rot. Bonds2

About 5-benzyl-1,3-oxazolidine

5-benzyl-1,3-oxazolidine (PubChem CID 141039879) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-benzyl-1,3-oxazolidine.

Molecular Properties

Compound Name5-benzyl-1,3-oxazolidine
PubChem CID141039879
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-benzyl-1,3-oxazolidine
SMILESc1ccc(CC2CNCO2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,10-11H,6-8H2
InChIKeyAQNQNFQDEGDRIP-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,6-difluorophenyl)methyl]-1,3-oxazolidine
CID 161163437
2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
CID 142864888
3-benzylazetidine;hydrochloride
CID 54592835
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol
CID 67931751
2-benzyl-1,4-dioxane
CID 12910406
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-benzyloxepane
CID 14272917
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine
CID 82376755
2-benzyl-4,4-dimethyloxolane
CID 102308399

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-oxazolidine?
The IUPAC name of 5-benzyl-1,3-oxazolidine (CID 141039879) is 5-benzyl-1,3-oxazolidine.
What is the SMILES notation for 5-benzyl-1,3-oxazolidine?
The canonical SMILES for 5-benzyl-1,3-oxazolidine is c1ccc(CC2CNCO2)cc1.
What is the InChIKey of 5-benzyl-1,3-oxazolidine?
The InChIKey is AQNQNFQDEGDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,10-11H,6-8H2.
What are the key properties of 5-benzyl-1,3-oxazolidine?
5-benzyl-1,3-oxazolidine has a molecular weight of 163.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-oxazolidine is sourced from PubChem (CID 141039879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).