2-[3-(1,3-oxazol-5-yl)phenyl]guanidine

C10H10N4O — CID 69055551

IUPAC2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C10H10N4O/c11-10(12)14-8-3-1-2-7(4-8)9-5-13-6-15-9/h1-6H,(H4,11,12,14)
InChIKeyYJPMIGWGPIORCQ-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.25
Rot. Bonds2

About 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine

2-[3-(1,3-oxazol-5-yl)phenyl]guanidine (PubChem CID 69055551) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine.

Molecular Properties

Compound Name2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
PubChem CID69055551
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C10H10N4O/c11-10(12)14-8-3-1-2-7(4-8)9-5-13-6-15-9/h1-6H,(H4,11,12,14)
InChIKeyYJPMIGWGPIORCQ-UHFFFAOYSA-N
XLogP1.25
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.25
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-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
The IUPAC name of 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine (CID 69055551) is 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine.
What is the SMILES notation for 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
The canonical SMILES for 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine is NC(N)=Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
The InChIKey is YJPMIGWGPIORCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10(12)14-8-3-1-2-7(4-8)9-5-13-6-15-9/h1-6H,(H4,11,12,14).
What are the key properties of 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
2-[3-(1,3-oxazol-5-yl)phenyl]guanidine has a molecular weight of 202.22 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-oxazol-5-yl)phenyl]guanidine is sourced from PubChem (CID 69055551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).