2-benzyl-2,5,5-trimethyl-1,3-oxazolidine

C13H19NO — CID 117228986

IUPAC2-benzyl-2,5,5-trimethyl-1,3-oxazolidine
SMILESCC1(C)CNC(C)(Cc2ccccc2)O1
InChIInChI=1S/C13H19NO/c1-12(2)10-14-13(3,15-12)9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyXVIPNVMHKHVYGD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds2

About 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine

2-benzyl-2,5,5-trimethyl-1,3-oxazolidine (PubChem CID 117228986) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-benzyl-2,5,5-trimethyl-1,3-oxazolidine
PubChem CID117228986
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-benzyl-2,5,5-trimethyl-1,3-oxazolidine
SMILESCC1(C)CNC(C)(Cc2ccccc2)O1
InChIInChI=1S/C13H19NO/c1-12(2)10-14-13(3,15-12)9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyXVIPNVMHKHVYGD-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-benzyl-3-methyloxiran-2-amine
CID 130712281
2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine
CID 151925220
2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
CID 117226801
6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione
CID 4967811
2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
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CID 67149212

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine?
The IUPAC name of 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine (CID 117228986) is 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine is CC1(C)CNC(C)(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine?
The InChIKey is XVIPNVMHKHVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2)10-14-13(3,15-12)9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.
What are the key properties of 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine?
2-benzyl-2,5,5-trimethyl-1,3-oxazolidine has a molecular weight of 205.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,5,5-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 117228986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).