[1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea

C7H12N4O3 — CID 54212253

IUPAC[1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea
SMILESNC(=O)N=C(N)CCN1CCOC1=O
InChIInChI=1S/C7H12N4O3/c8-5(10-6(9)12)1-2-11-3-4-14-7(11)13/h1-4H2,(H4,8,9,10,12)
InChIKeyPWSVLFNCSFCTIS-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.74
Rot. Bonds3

About [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea

[1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea (PubChem CID 54212253) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea.

Molecular Properties

Compound Name[1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea
PubChem CID54212253
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name[1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea
SMILESNC(=O)N=C(N)CCN1CCOC1=O
InChIInChI=1S/C7H12N4O3/c8-5(10-6(9)12)1-2-11-3-4-14-7(11)13/h1-4H2,(H4,8,9,10,12)
InChIKeyPWSVLFNCSFCTIS-UHFFFAOYSA-N
XLogP-0.74
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea?
The IUPAC name of [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea (CID 54212253) is [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea.
What is the SMILES notation for [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea?
The canonical SMILES for [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea is NC(=O)N=C(N)CCN1CCOC1=O.
What is the InChIKey of [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea?
The InChIKey is PWSVLFNCSFCTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-5(10-6(9)12)1-2-11-3-4-14-7(11)13/h1-4H2,(H4,8,9,10,12).
What are the key properties of [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea?
[1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea has a molecular weight of 200.20 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea is sourced from PubChem (CID 54212253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).