1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea

C10H19N3O3 — CID 118555104

IUPAC1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea
SMILESCCCC(CCN1CCOC1=O)NC(N)=O
InChIInChI=1S/C10H19N3O3/c1-2-3-8(12-9(11)14)4-5-13-6-7-16-10(13)15/h8H,2-7H2,1H3,(H3,11,12,14)
InChIKeyBTSIVXIJCDLMKV-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.67
Rot. Bonds6

About 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea

1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea (PubChem CID 118555104) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea.

Molecular Properties

Compound Name1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea
PubChem CID118555104
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea
SMILESCCCC(CCN1CCOC1=O)NC(N)=O
InChIInChI=1S/C10H19N3O3/c1-2-3-8(12-9(11)14)4-5-13-6-7-16-10(13)15/h8H,2-7H2,1H3,(H3,11,12,14)
InChIKeyBTSIVXIJCDLMKV-UHFFFAOYSA-N
XLogP0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.67
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)hexan-3-ylurea?
The IUPAC name of 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea (CID 118555104) is 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea.
What is the SMILES notation for 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea?
The canonical SMILES for 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea is CCCC(CCN1CCOC1=O)NC(N)=O.
What is the InChIKey of 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea?
The InChIKey is BTSIVXIJCDLMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-3-8(12-9(11)14)4-5-13-6-7-16-10(13)15/h8H,2-7H2,1H3,(H3,11,12,14).
What are the key properties of 1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea?
1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-ylurea has a molecular weight of 229.28 g/mol, XLogP of 0.67, 6 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)hexan-3-ylurea is sourced from PubChem (CID 118555104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).