2-(1,3-oxazol-2-yl)guanidine

C4H6N4O — CID 20530357

IUPAC2-(1,3-oxazol-2-yl)guanidine
SMILESNC(N)=Nc1ncco1
InChIInChI=1S/C4H6N4O/c5-3(6)8-4-7-1-2-9-4/h1-2H,(H4,5,6,7,8)
InChIKeyIXNMQXDGMKPLMD-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.42
Rot. Bonds1

About 2-(1,3-oxazol-2-yl)guanidine

2-(1,3-oxazol-2-yl)guanidine (PubChem CID 20530357) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)guanidine
PubChem CID20530357
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name2-(1,3-oxazol-2-yl)guanidine
SMILESNC(N)=Nc1ncco1
InChIInChI=1S/C4H6N4O/c5-3(6)8-4-7-1-2-9-4/h1-2H,(H4,5,6,7,8)
InChIKeyIXNMQXDGMKPLMD-UHFFFAOYSA-N
XLogP-0.42
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.42
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 2-(1,3-oxazol-2-yl)guanidine?
The IUPAC name of 2-(1,3-oxazol-2-yl)guanidine (CID 20530357) is 2-(1,3-oxazol-2-yl)guanidine.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)guanidine?
The canonical SMILES for 2-(1,3-oxazol-2-yl)guanidine is NC(N)=Nc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)guanidine?
The InChIKey is IXNMQXDGMKPLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3(6)8-4-7-1-2-9-4/h1-2H,(H4,5,6,7,8).
What are the key properties of 2-(1,3-oxazol-2-yl)guanidine?
2-(1,3-oxazol-2-yl)guanidine has a molecular weight of 126.12 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)guanidine is sourced from PubChem (CID 20530357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).