1-(2-oxo-1,3-oxazolidin-3-yl)butylurea

C8H15N3O3 — CID 118555116

IUPAC1-(2-oxo-1,3-oxazolidin-3-yl)butylurea
SMILESCCCC(NC(N)=O)N1CCOC1=O
InChIInChI=1S/C8H15N3O3/c1-2-3-6(10-7(9)12)11-4-5-14-8(11)13/h6H,2-5H2,1H3,(H3,9,10,12)
InChIKeyIESBHSMCOOFNEH-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.23
Rot. Bonds4

About 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea

1-(2-oxo-1,3-oxazolidin-3-yl)butylurea (PubChem CID 118555116) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea.

Molecular Properties

Compound Name1-(2-oxo-1,3-oxazolidin-3-yl)butylurea
PubChem CID118555116
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name1-(2-oxo-1,3-oxazolidin-3-yl)butylurea
SMILESCCCC(NC(N)=O)N1CCOC1=O
InChIInChI=1S/C8H15N3O3/c1-2-3-6(10-7(9)12)11-4-5-14-8(11)13/h6H,2-5H2,1H3,(H3,9,10,12)
InChIKeyIESBHSMCOOFNEH-UHFFFAOYSA-N
XLogP0.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea?
The IUPAC name of 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea (CID 118555116) is 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea.
What is the SMILES notation for 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea?
The canonical SMILES for 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea is CCCC(NC(N)=O)N1CCOC1=O.
What is the InChIKey of 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea?
The InChIKey is IESBHSMCOOFNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-2-3-6(10-7(9)12)11-4-5-14-8(11)13/h6H,2-5H2,1H3,(H3,9,10,12).
What are the key properties of 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea?
1-(2-oxo-1,3-oxazolidin-3-yl)butylurea has a molecular weight of 201.23 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-oxazolidin-3-yl)butylurea is sourced from PubChem (CID 118555116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).