3-tert-butyl-5,5-dimethyl-1,3-oxazolidine

C9H19NO — CID 169041629

IUPAC3-tert-butyl-5,5-dimethyl-1,3-oxazolidine
SMILESCC1(C)CN(C(C)(C)C)CO1
InChIInChI=1S/C9H19NO/c1-8(2,3)10-6-9(4,5)11-7-10/h6-7H2,1-5H3
InChIKeyAYTSZOLSBZTVPO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.85
Rot. Bonds

About 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine

3-tert-butyl-5,5-dimethyl-1,3-oxazolidine (PubChem CID 169041629) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-tert-butyl-5,5-dimethyl-1,3-oxazolidine
PubChem CID169041629
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-tert-butyl-5,5-dimethyl-1,3-oxazolidine
SMILESCC1(C)CN(C(C)(C)C)CO1
InChIInChI=1S/C9H19NO/c1-8(2,3)10-6-9(4,5)11-7-10/h6-7H2,1-5H3
InChIKeyAYTSZOLSBZTVPO-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-5,5-dimethyl-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 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine?
The IUPAC name of 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine (CID 169041629) is 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine?
The canonical SMILES for 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine is CC1(C)CN(C(C)(C)C)CO1.
What is the InChIKey of 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine?
The InChIKey is AYTSZOLSBZTVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)10-6-9(4,5)11-7-10/h6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine?
3-tert-butyl-5,5-dimethyl-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,5-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 169041629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).