4-benzyl-1,3-oxazolidine

C10H13NO — CID 22719793

IUPAC4-benzyl-1,3-oxazolidine
SMILESc1ccc(CC2COCN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,10-11H,6-8H2
InChIKeyPMZZAXLJEHLZLA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.17
Rot. Bonds2

About 4-benzyl-1,3-oxazolidine

4-benzyl-1,3-oxazolidine (PubChem CID 22719793) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-benzyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-benzyl-1,3-oxazolidine
PubChem CID22719793
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-benzyl-1,3-oxazolidine
SMILESc1ccc(CC2COCN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,10-11H,6-8H2
InChIKeyPMZZAXLJEHLZLA-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

(4S)-4-benzyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
CID 97102714
(4S)-4-(2,2-diphenylethyl)-1,3-oxazolidine
CID 135395681
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
CID 11195468
3-benzyl-5-(difluoromethyl)morpholine
CID 137409064
(3S,6Z)-3-benzyl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 102189345
2-benzyl-1,5,3-dioxazepane
CID 142764649
7-benzyl-9-oxa-6-azaspiro[4.5]decane
CID 56766379
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid
CID 102365390
7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane
CID 155888873
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,3-oxazolidine?
The IUPAC name of 4-benzyl-1,3-oxazolidine (CID 22719793) is 4-benzyl-1,3-oxazolidine.
What is the SMILES notation for 4-benzyl-1,3-oxazolidine?
The canonical SMILES for 4-benzyl-1,3-oxazolidine is c1ccc(CC2COCN2)cc1.
What is the InChIKey of 4-benzyl-1,3-oxazolidine?
The InChIKey is PMZZAXLJEHLZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,10-11H,6-8H2.
What are the key properties of 4-benzyl-1,3-oxazolidine?
4-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 4-benzyl-1,3-oxazolidine is sourced from PubChem (CID 22719793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).