3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C9H17NO3 — CID 134473019

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)OCCN1CCOC1=O
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-7-5-10-4-6-12-8(10)11/h4-7H2,1-3H3
InChIKeyZEBDZHFRQNQIRO-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds3

About 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 134473019) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID134473019
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)OCCN1CCOC1=O
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-7-5-10-4-6-12-8(10)11/h4-7H2,1-3H3
InChIKeyZEBDZHFRQNQIRO-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 134473019) is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is CC(C)(C)OCCN1CCOC1=O.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZEBDZHFRQNQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-7-5-10-4-6-12-8(10)11/h4-7H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134473019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).