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

C7H12N4O — CID 142630694

IUPAC2-[3-(1,2-oxazol-3-yl)propyl]guanidine
SMILESNC(N)=NCCCc1ccon1
InChIInChI=1S/C7H12N4O/c8-7(9)10-4-1-2-6-3-5-12-11-6/h3,5H,1-2,4H2,(H4,8,9,10)
InChIKeyMGMYEXLXUOQBKY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.12
Rot. Bonds4

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

2-[3-(1,2-oxazol-3-yl)propyl]guanidine (PubChem CID 142630694) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[3-(1,2-oxazol-3-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(1,2-oxazol-3-yl)propyl]guanidine
PubChem CID142630694
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-[3-(1,2-oxazol-3-yl)propyl]guanidine
SMILESNC(N)=NCCCc1ccon1
InChIInChI=1S/C7H12N4O/c8-7(9)10-4-1-2-6-3-5-12-11-6/h3,5H,1-2,4H2,(H4,8,9,10)
InChIKeyMGMYEXLXUOQBKY-UHFFFAOYSA-N
XLogP-0.12
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(1,2-oxazol-3-yl)hexanamide
CID 90927084
4-(1,2-oxazol-3-yl)butan-1-amine
CID 22024725
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
3-[3-(1,3-benzothiazol-2-yl)propyl]-1,2-oxazole
CID 175243961
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
CID 54041905
1,2-oxazol-3-ylmethanethiol
CID 15646083
1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 79492896
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
2-[4-(4-fluorophenyl)butyl]guanidine
CID 95440579

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-oxazol-3-yl)propyl]guanidine?
The IUPAC name of 2-[3-(1,2-oxazol-3-yl)propyl]guanidine (CID 142630694) is 2-[3-(1,2-oxazol-3-yl)propyl]guanidine.
What is the SMILES notation for 2-[3-(1,2-oxazol-3-yl)propyl]guanidine?
The canonical SMILES for 2-[3-(1,2-oxazol-3-yl)propyl]guanidine is NC(N)=NCCCc1ccon1.
What is the InChIKey of 2-[3-(1,2-oxazol-3-yl)propyl]guanidine?
The InChIKey is MGMYEXLXUOQBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-7(9)10-4-1-2-6-3-5-12-11-6/h3,5H,1-2,4H2,(H4,8,9,10).
What are the key properties of 2-[3-(1,2-oxazol-3-yl)propyl]guanidine?
2-[3-(1,2-oxazol-3-yl)propyl]guanidine has a molecular weight of 168.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-oxazol-3-yl)propyl]guanidine is sourced from PubChem (CID 142630694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).