2,4,5-tri(propan-2-yl)-1,3-oxazolidine

C12H25NO — CID 166020016

IUPAC2,4,5-tri(propan-2-yl)-1,3-oxazolidine
SMILESCC(C)C1NC(C(C)C)C(C(C)C)O1
InChIInChI=1S/C12H25NO/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-13H,1-6H3
InChIKeyJZGDVNNIQUTCIJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.64
Rot. Bonds3

About 2,4,5-tri(propan-2-yl)-1,3-oxazolidine

2,4,5-tri(propan-2-yl)-1,3-oxazolidine (PubChem CID 166020016) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,4,5-tri(propan-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,5-tri(propan-2-yl)-1,3-oxazolidine
PubChem CID166020016
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,4,5-tri(propan-2-yl)-1,3-oxazolidine
SMILESCC(C)C1NC(C(C)C)C(C(C)C)O1
InChIInChI=1S/C12H25NO/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-13H,1-6H3
InChIKeyJZGDVNNIQUTCIJ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tri(propan-2-yl)-1,3-oxazolidine?
The IUPAC name of 2,4,5-tri(propan-2-yl)-1,3-oxazolidine (CID 166020016) is 2,4,5-tri(propan-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 2,4,5-tri(propan-2-yl)-1,3-oxazolidine?
The canonical SMILES for 2,4,5-tri(propan-2-yl)-1,3-oxazolidine is CC(C)C1NC(C(C)C)C(C(C)C)O1.
What is the InChIKey of 2,4,5-tri(propan-2-yl)-1,3-oxazolidine?
The InChIKey is JZGDVNNIQUTCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-13H,1-6H3.
What are the key properties of 2,4,5-tri(propan-2-yl)-1,3-oxazolidine?
2,4,5-tri(propan-2-yl)-1,3-oxazolidine has a molecular weight of 199.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tri(propan-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 166020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).