2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine

C10H12N4O — CID 139904317

IUPAC2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(C2=NOCC2)cc1
InChIInChI=1S/C10H12N4O/c11-10(12)13-8-3-1-7(2-4-8)9-5-6-15-14-9/h1-4H,5-6H2,(H4,11,12,13)
InChIKeyZDHLHRAKDFTTPW-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.72
Rot. Bonds2

About 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine

2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine (PubChem CID 139904317) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine
PubChem CID139904317
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(C2=NOCC2)cc1
InChIInChI=1S/C10H12N4O/c11-10(12)13-8-3-1-7(2-4-8)9-5-6-15-14-9/h1-4H,5-6H2,(H4,11,12,13)
InChIKeyZDHLHRAKDFTTPW-UHFFFAOYSA-N
XLogP0.72
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.72
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-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine?
The IUPAC name of 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine (CID 139904317) is 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine.
What is the SMILES notation for 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine?
The canonical SMILES for 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine is NC(N)=Nc1ccc(C2=NOCC2)cc1.
What is the InChIKey of 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine?
The InChIKey is ZDHLHRAKDFTTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-10(12)13-8-3-1-7(2-4-8)9-5-6-15-14-9/h1-4H,5-6H2,(H4,11,12,13).
What are the key properties of 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine?
2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine has a molecular weight of 204.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine is sourced from PubChem (CID 139904317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).