4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine

C9H19NO — CID 45096021

IUPAC4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCC1COC(C)(C(C)C)N1
InChIInChI=1S/C9H19NO/c1-5-8-6-11-9(4,10-8)7(2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyRIHBIBFXNOPQON-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds2

About 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine

4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine (PubChem CID 45096021) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine
PubChem CID45096021
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCC1COC(C)(C(C)C)N1
InChIInChI=1S/C9H19NO/c1-5-8-6-11-9(4,10-8)7(2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyRIHBIBFXNOPQON-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine (CID 45096021) is 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine is CCC1COC(C)(C(C)C)N1.
What is the InChIKey of 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine?
The InChIKey is RIHBIBFXNOPQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8-6-11-9(4,10-8)7(2)3/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine?
4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 45096021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).