2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine

C9H17NO2 — CID 117227590

IUPAC2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
SMILESCC1COC(C)(C2CCOC2)N1
InChIInChI=1S/C9H17NO2/c1-7-5-12-9(2,10-7)8-3-4-11-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyTVPVWDUAHBLEIQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.75
Rot. Bonds1

About 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine

2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine (PubChem CID 117227590) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
PubChem CID117227590
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
SMILESCC1COC(C)(C2CCOC2)N1
InChIInChI=1S/C9H17NO2/c1-7-5-12-9(2,10-7)8-3-4-11-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyTVPVWDUAHBLEIQ-UHFFFAOYSA-N
XLogP0.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-2-(oxolan-3-yl)-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

Related Compounds

2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227645
2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227605
2,4-dimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227619
2,4-dimethyl-2-(oxan-2-yl)-1,3-oxazolidine
CID 117227926
2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227591
2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227829
2,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine
CID 117227702
2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227438
2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
CID 117228417
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
CID 43608947
2,2-dimethyl-1-(oxolan-3-yl)cyclopentan-1-amine
CID 79857902
3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione
CID 130597051

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine?
The IUPAC name of 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine (CID 117227590) is 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine.
What is the SMILES notation for 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine?
The canonical SMILES for 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine is CC1COC(C)(C2CCOC2)N1.
What is the InChIKey of 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine?
The InChIKey is TVPVWDUAHBLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-12-9(2,10-7)8-3-4-11-6-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine?
2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine has a molecular weight of 171.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine is sourced from PubChem (CID 117227590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).