1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea

C5H9N5O3 — CID 137202444

IUPAC1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESNNC(=O)NCCc1noc(=O)[nH]1
InChIInChI=1S/C5H9N5O3/c6-9-4(11)7-2-1-3-8-5(12)13-10-3/h1-2,6H2,(H2,7,9,11)(H,8,10,12)
InChIKeyJWIRUISEQZLADS-UHFFFAOYSA-N
MW187.16 g/mol
LogP-1.92
Rot. Bonds3

About 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea

1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 137202444) has the molecular formula C5H9N5O3 and a molecular weight of 187.16 g/mol. Its IUPAC name is 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID137202444
Molecular FormulaC5H9N5O3
Molecular Weight187.16 g/mol
Exact Mass187.07
IUPAC Name1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESNNC(=O)NCCc1noc(=O)[nH]1
InChIInChI=1S/C5H9N5O3/c6-9-4(11)7-2-1-3-8-5(12)13-10-3/h1-2,6H2,(H2,7,9,11)(H,8,10,12)
InChIKeyJWIRUISEQZLADS-UHFFFAOYSA-N
XLogP-1.92
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 137202444) is 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea is NNC(=O)NCCc1noc(=O)[nH]1.
What is the InChIKey of 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is JWIRUISEQZLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O3/c6-9-4(11)7-2-1-3-8-5(12)13-10-3/h1-2,6H2,(H2,7,9,11)(H,8,10,12).
What are the key properties of 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 187.16 g/mol, XLogP of -1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 137202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).