1-hydroxy-1-(1,2-oxazol-5-yl)urea

C4H5N3O3 — CID 88634980

IUPAC1-hydroxy-1-(1,2-oxazol-5-yl)urea
SMILESNC(=O)N(O)c1ccno1
InChIInChI=1S/C4H5N3O3/c5-4(8)7(9)3-1-2-6-10-3/h1-2,9H,(H2,5,8)
InChIKeyXWHLNLRBPXSKSV-UHFFFAOYSA-N
MW143.10 g/mol
LogP-0.05
Rot. Bonds1

About 1-hydroxy-1-(1,2-oxazol-5-yl)urea

1-hydroxy-1-(1,2-oxazol-5-yl)urea (PubChem CID 88634980) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is 1-hydroxy-1-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(1,2-oxazol-5-yl)urea
PubChem CID88634980
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name1-hydroxy-1-(1,2-oxazol-5-yl)urea
SMILESNC(=O)N(O)c1ccno1
InChIInChI=1S/C4H5N3O3/c5-4(8)7(9)3-1-2-6-10-3/h1-2,9H,(H2,5,8)
InChIKeyXWHLNLRBPXSKSV-UHFFFAOYSA-N
XLogP-0.05
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-hydroxy-1-(1,2-oxazol-5-yl)urea (CID 88634980) is 1-hydroxy-1-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-hydroxy-1-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-hydroxy-1-(1,2-oxazol-5-yl)urea is NC(=O)N(O)c1ccno1.
What is the InChIKey of 1-hydroxy-1-(1,2-oxazol-5-yl)urea?
The InChIKey is XWHLNLRBPXSKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c5-4(8)7(9)3-1-2-6-10-3/h1-2,9H,(H2,5,8).
What are the key properties of 1-hydroxy-1-(1,2-oxazol-5-yl)urea?
1-hydroxy-1-(1,2-oxazol-5-yl)urea has a molecular weight of 143.10 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 88634980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).