5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one

C8H15NO2 — CID 45096024

IUPAC5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-4-7-5-9(6(2)3)8(10)11-7/h6-7H,4-5H2,1-3H3
InChIKeyZJEXWTHJTIWXGF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.63
Rot. Bonds2

About 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one

5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 45096024) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID45096024
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-4-7-5-9(6(2)3)8(10)11-7/h6-7H,4-5H2,1-3H3
InChIKeyZJEXWTHJTIWXGF-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one (CID 45096024) is 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one is CCC1CN(C(C)C)C(=O)O1.
What is the InChIKey of 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZJEXWTHJTIWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7-5-9(6(2)3)8(10)11-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one?
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45096024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).