2,4-di(propan-2-yl)-1,3-oxazolidin-5-one

C9H17NO2 — CID 14469830

IUPAC2,4-di(propan-2-yl)-1,3-oxazolidin-5-one
SMILESCC(C)C1NC(C(C)C)C(=O)O1
InChIInChI=1S/C9H17NO2/c1-5(2)7-9(11)12-8(10-7)6(3)4/h5-8,10H,1-4H3
InChIKeyXXWSAYVLGOBHAQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.14
Rot. Bonds2

About 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one

2,4-di(propan-2-yl)-1,3-oxazolidin-5-one (PubChem CID 14469830) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1,3-oxazolidin-5-one
PubChem CID14469830
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,4-di(propan-2-yl)-1,3-oxazolidin-5-one
SMILESCC(C)C1NC(C(C)C)C(=O)O1
InChIInChI=1S/C9H17NO2/c1-5(2)7-9(11)12-8(10-7)6(3)4/h5-8,10H,1-4H3
InChIKeyXXWSAYVLGOBHAQ-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one?
The IUPAC name of 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one (CID 14469830) is 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one.
What is the SMILES notation for 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one?
The canonical SMILES for 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one is CC(C)C1NC(C(C)C)C(=O)O1.
What is the InChIKey of 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one?
The InChIKey is XXWSAYVLGOBHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5(2)7-9(11)12-8(10-7)6(3)4/h5-8,10H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one?
2,4-di(propan-2-yl)-1,3-oxazolidin-5-one has a molecular weight of 171.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 14469830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).