(4R,5S)-3,4,5-trimethyl-1,3-oxazolidine

C6H13NO — CID 59071953

IUPAC(4R,5S)-3,4,5-trimethyl-1,3-oxazolidine
SMILESC[C@@H]1OCN(C)[C@@H]1C
InChIInChI=1S/C6H13NO/c1-5-6(2)8-4-7(5)3/h5-6H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeySHPUTERYDSRCQK-RITPCOANSA-N
MW115.18 g/mol
LogP0.68
Rot. Bonds

About (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine

(4R,5S)-3,4,5-trimethyl-1,3-oxazolidine (PubChem CID 59071953) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R,5S)-3,4,5-trimethyl-1,3-oxazolidine
PubChem CID59071953
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(4R,5S)-3,4,5-trimethyl-1,3-oxazolidine
SMILESC[C@@H]1OCN(C)[C@@H]1C
InChIInChI=1S/C6H13NO/c1-5-6(2)8-4-7(5)3/h5-6H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeySHPUTERYDSRCQK-RITPCOANSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine?
The IUPAC name of (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine (CID 59071953) is (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine is C[C@@H]1OCN(C)[C@@H]1C.
What is the InChIKey of (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine?
The InChIKey is SHPUTERYDSRCQK-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-6(2)8-4-7(5)3/h5-6H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine?
(4R,5S)-3,4,5-trimethyl-1,3-oxazolidine has a molecular weight of 115.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3,4,5-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 59071953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).