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

C5H8N4O — CID 141427084

IUPAC2-(1,3-oxazol-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ncco1
InChIInChI=1S/C5H8N4O/c6-5(7)9-3-4-8-1-2-10-4/h1-2H,3H2,(H4,6,7,9)
InChIKeyJEHBXQUQMNQHAB-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.55
Rot. Bonds2

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

2-(1,3-oxazol-2-ylmethyl)guanidine (PubChem CID 141427084) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylmethyl)guanidine
PubChem CID141427084
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2-(1,3-oxazol-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ncco1
InChIInChI=1S/C5H8N4O/c6-5(7)9-3-4-8-1-2-10-4/h1-2H,3H2,(H4,6,7,9)
InChIKeyJEHBXQUQMNQHAB-UHFFFAOYSA-N
XLogP-0.55
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.55
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-ylmethyl)guanidine?
The IUPAC name of 2-(1,3-oxazol-2-ylmethyl)guanidine (CID 141427084) is 2-(1,3-oxazol-2-ylmethyl)guanidine.
What is the SMILES notation for 2-(1,3-oxazol-2-ylmethyl)guanidine?
The canonical SMILES for 2-(1,3-oxazol-2-ylmethyl)guanidine is NC(N)=NCc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylmethyl)guanidine?
The InChIKey is JEHBXQUQMNQHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-5(7)9-3-4-8-1-2-10-4/h1-2H,3H2,(H4,6,7,9).
What are the key properties of 2-(1,3-oxazol-2-ylmethyl)guanidine?
2-(1,3-oxazol-2-ylmethyl)guanidine has a molecular weight of 140.15 g/mol, XLogP of -0.55, 2 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-ylmethyl)guanidine is sourced from PubChem (CID 141427084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).