4,4,5-trimethyl-1,3-oxazolidine

C6H13NO — CID 147195251

IUPAC4,4,5-trimethyl-1,3-oxazolidine
SMILESCC1OCNC1(C)C
InChIInChI=1S/C6H13NO/c1-5-6(2,3)7-4-8-5/h5,7H,4H2,1-3H3
InChIKeyCCFRLERFMIXXRK-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.73
Rot. Bonds

About 4,4,5-trimethyl-1,3-oxazolidine

4,4,5-trimethyl-1,3-oxazolidine (PubChem CID 147195251) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4,4,5-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name4,4,5-trimethyl-1,3-oxazolidine
PubChem CID147195251
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4,4,5-trimethyl-1,3-oxazolidine
SMILESCC1OCNC1(C)C
InChIInChI=1S/C6H13NO/c1-5-6(2,3)7-4-8-5/h5,7H,4H2,1-3H3
InChIKeyCCFRLERFMIXXRK-UHFFFAOYSA-N
XLogP0.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane
CID 55286741
(2S)-2,5,5-trimethylmorpholine
CID 42303684
(3R)-2,2,3-trimethylaziridine
CID 55287043
[4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol
CID 123671860
(2S)-2,5,5-trimethylmorpholine;hydrochloride
CID 155294187
2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane
CID 162283234
(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane
CID 23279803
2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane
CID 87908913
CID 177329207
CID 177329207
[(2R)-3,3-dimethylmorpholin-2-yl]methanol
CID 129408060
2-ethyl-2,5-dimethyl-1,3-oxazinane
CID 117226941
5-ethyl-2,5-dimethylmorpholine
CID 22689125

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-1,3-oxazolidine?
The IUPAC name of 4,4,5-trimethyl-1,3-oxazolidine (CID 147195251) is 4,4,5-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 4,4,5-trimethyl-1,3-oxazolidine?
The canonical SMILES for 4,4,5-trimethyl-1,3-oxazolidine is CC1OCNC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-1,3-oxazolidine?
The InChIKey is CCFRLERFMIXXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-6(2,3)7-4-8-5/h5,7H,4H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-1,3-oxazolidine?
4,4,5-trimethyl-1,3-oxazolidine has a molecular weight of 115.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 147195251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).