1,3-oxazolidin-2-one;urea

C4H9N3O3 — CID 22245086

IUPAC1,3-oxazolidin-2-one;urea
SMILESNC(N)=O.O=C1NCCO1
InChIInChI=1S/C3H5NO2.CH4N2O/c5-3-4-1-2-6-3;2-1(3)4/h1-2H2,(H,4,5);(H4,2,3,4)
InChIKeyQAURSYAJNIQNSZ-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.25
Rot. Bonds

About 1,3-oxazolidin-2-one;urea

1,3-oxazolidin-2-one;urea (PubChem CID 22245086) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1,3-oxazolidin-2-one;urea.

Molecular Properties

Compound Name1,3-oxazolidin-2-one;urea
PubChem CID22245086
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name1,3-oxazolidin-2-one;urea
SMILESNC(N)=O.O=C1NCCO1
InChIInChI=1S/C3H5NO2.CH4N2O/c5-3-4-1-2-6-3;2-1(3)4/h1-2H2,(H,4,5);(H4,2,3,4)
InChIKeyQAURSYAJNIQNSZ-UHFFFAOYSA-N
XLogP-1.25
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-2-one;urea?
The IUPAC name of 1,3-oxazolidin-2-one;urea (CID 22245086) is 1,3-oxazolidin-2-one;urea.
What is the SMILES notation for 1,3-oxazolidin-2-one;urea?
The canonical SMILES for 1,3-oxazolidin-2-one;urea is NC(N)=O.O=C1NCCO1.
What is the InChIKey of 1,3-oxazolidin-2-one;urea?
The InChIKey is QAURSYAJNIQNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.CH4N2O/c5-3-4-1-2-6-3;2-1(3)4/h1-2H2,(H,4,5);(H4,2,3,4).
What are the key properties of 1,3-oxazolidin-2-one;urea?
1,3-oxazolidin-2-one;urea has a molecular weight of 147.13 g/mol, XLogP of -1.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-one;urea is sourced from PubChem (CID 22245086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).